trolamine

Creu erthygl

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cyfansoddyn cemegol

Adnoddau allanol

dynodwr AAT	300389955
UNII	9O3K93S3TK^[1]^[2]
Reaxys registry number	1699263^[3]
ZVG number	14280
PubChem CID	7618^[4]^[2]
DSSTOX compound identifier	DTXCID201392
UniChem compound ID	122582^[5]
RxNorm ID	38623^[1]
UMLS CUI	C0077089^[1]
PDB structure ID	3ZUK^[6] 2HMP^[7] 5CIX^[8] 3H7C^[9] 3FRL^[10] 3RQ0^[11]
PDB Ligand	211
PesticideInfo chemical ID	PRI6376
GND	4392333-1^[12]
NDF-RT	N0000148217^[1] N0000147567
dynodwr Freebase	/m/08g57x^[13]
OpenAlex ID	C2775897365^[14]
ChEMBL ID	CHEMBL446061^[15]
EC number	203-049-8^[1]
dynodwr KBpedia	Triethanolamine^[16]
dynodwr HCIS	1881
InChIKey	GSEJCLTVZPLZKY-UHFFFAOYSA-N^[4]^[17]
Dynodwr Drugbank (Alberta)	DB13747^[2]
ChEBI ID	28621^[15]^[18]^[19] mapping relation type: exact match
DSSTox substance ID	DTXSID9021392^[20]^[2]
dynodwr ICSC	1034
rhif RTECS	KL9275000
InChI	InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2^[4]
SureChEMBL ID	SCHEMBL1146^[21]^[2]
dynodwr Microsoft Academic	2775897365
dynodwr HMDB	HMDB0032538^[21]^[2]
Rhif Cofrestru CAS	102-71-6^[1]
CosIng number	38702^[22]
NSC number	36718
AICS Chemical ID (BEING DELETED)	2447
KNApSAcK ID	C00058934^[21]^[2]
ECHA Substance Infocard ID	100.002.773^[23]
UM-BBD compound ID	c0491
OSHA Occupational Chemical Database ID	29
ChemSpider ID	13835630^[24]
NMRShiftDB structure ID	10024503^[2]
DrugCentral ID	2768^[5]
CAMEO Chemicals ID	9144
MassBank accession ID	MSBNK-Keio_Univ-KO004112 MSBNK-Keio_Univ-KO004113 MSBNK-Keio_Univ-KO004114 MSBNK-Keio_Univ-KO004115 MSBNK-Keio_Univ-KO004116 MSBNK-MSSJ-MSJ00065 MSBNK-MSSJ-MSJ00066 MSBNK-RIKEN-PR100337 MSBNK-Fac_Eng_Univ_Tokyo-JP005709
SPLASH	splash10-0udi-0900000000-0c50692a60886d3a9842 splash10-0ue9-3900000000-2610bf9e1d6b422b2581 splash10-00di-9100000000-ad4771662a2213681b1c splash10-00dl-9000000000-3099cf0c685e5aa6736f splash10-006w-9000000000-d387d0ee743aefe8efec splash10-0ue9-4900000000-a63f8f03a9f4f6fe4fd5 splash10-0udi-0900000000-03dfbfd69b06d4165321 splash10-0udi-4900000000-a9fe67888837dbc059d1 splash10-006y-9200000000-0e35202012fb08dc5ff4 splash10-0007-9000000000-3eeeeddeb7df95b52165 splash10-03di-1970000000-1cdc1ba11e5a386f1352 splash10-066r-9400000000-4742c6b283ff3c63f5cf
dynodwr KEGG	D00215^[3] C06771
Cod yr ATC	D03AX12
Probes And Drugs ID	PD014406
dynodwr HSDB	893^[25]

enghraifft o'r canlynol

math o endid cemegol

isddosbarth o'r canlynol

cyfansoddyn cemegol

rhan o'r canlynol

triethanolamine metabolic process^[26]

rôl y pwnc: participant

triethanolamine catabolic process^[26]

rôl y pwnc: reactant

adeiledd gemegol

image of molecular model or crystal lattice model

yn portreadu: ball-and-stick model

màs

149.105 uned Dalton^[4]

fformwla gemegol

C₆H₁₅NO₃^[4]

SMILES

C(CO)N(CCO)CCO^[4]

ionization energy

7.90 electronvolt^[27]

trefnolyn: 1

ymdoddbwynt

20.0 gradd Celsius^[28]

20.5 gradd Celsius^[27]

boiling point

335.4 gradd Celsius^[27]

under pressure: 101.325 kilopascal

pKa

7.77±0.01^[29]

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health: 2

NFPA Fire: 1

NFPA Instability: 0

found in taxon

Ffeuen Ffrengig^[30]

yn cynnwys

nitrogen

carbon

categori Comin

Triethanolamine

Cyfeiriadau

↑ ^1.0 ^1.1 ^1.2 ^1.3 ^1.4 ^1.5 Global Substance Registration System, 17 Tachwedd 2016, Saesneg, trolamine, 9O3K93S3TK
↑ ^2.0 ^2.1 ^2.2 ^2.3 ^2.4 ^2.5 ^2.6 ^2.7 GSEJCLTVZPLZKY-UHFFFAOYSA-N, InChIKey
↑ ^3.0 ^3.1 ChEBI, 19 Hydref 2016, Saesneg, triethanolamine, 28621
↑ ^4.0 ^4.1 ^4.2 ^4.3 ^4.4 ^4.5 PubChem, 17 Tachwedd 2016, Saesneg, 7618, TRIETHANOLAMINE
↑ ^5.0 ^5.1 UniChem
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 3ZUK, 3ZUK
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 2HMP, 2HMP
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 5CIX, 5CIX
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 3H7C, 3H7C
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 3FRL, 3FRL
↑ Protein Data Bank, 19 Hydref 2016, Saesneg, 3RQ0, 3RQ0
↑ Gemeinsame Normdatei, 1 Mai 2018
↑ Freebase Data Dumps, 28 Hydref 2013
↑ OpenAlex, 26 Ionawr 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
↑ ^15.0 ^15.1 ChEMBL, 17 Tachwedd 2016, Saesneg, TROLAMINE, CHEMBL446061
↑ KBpedia, 9 Gorffennaf 2020
↑ ChEBI release 2020-09-01
↑ ChEBI release 2019-10-02
↑ International Chemical Identifier, InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
↑ ^21.0 ^21.1 ^21.2 inferred from InChIKey
↑ CosIng database, 28 Rhagfyr 2019, 38702, TRIETHANOLAMINE, CAS no.: 102-71-6
↑ ECHA Substance Infocard database, 27 Rhagfyr 2018, 100.002.773, 2,2',2''-nitrilotriethanol, CAS no.: 102-71-6
↑ ChemSpider, 17 Tachwedd 2016, Saesneg, 13835630, Triethanolamine
↑ Hazardous Substances Data Bank, 10 Mai 2021, 28 Hydref 2019, TRIETHANOLAMINE, 893
↑ ^26.0 ^26.1 Gene Ontology release 2019-11-16
↑ ^27.0 ^27.1 ^27.2 Basic laboratory and industrial chemicals: A CRC quick reference handbook
↑ Jean-Claude Bradley Open Melting Point Dataset
↑ Correlation of the Base Strengths of Amines 1
↑ Metabolite Profiling of Root Exudates of Common Bean under Phosphorus Deficiency

[r9c35809e-1] 1.0 ^1.1 ^1.2 ^1.3 ^1.4 ^1.5 Global Substance Registration System, 17 Tachwedd 2016, Saesneg, trolamine, 9O3K93S3TK

[r179fc20e-2] 2.0 ^2.1 ^2.2 ^2.3 ^2.4 ^2.5 ^2.6 ^2.7 GSEJCLTVZPLZKY-UHFFFAOYSA-N, InChIKey

[re7302ebe-3] 3.0 ^3.1 ChEBI, 19 Hydref 2016, Saesneg, triethanolamine, 28621

[rf2bc6d8c-4] 4.0 ^4.1 ^4.2 ^4.3 ^4.4 ^4.5 PubChem, 17 Tachwedd 2016, Saesneg, 7618, TRIETHANOLAMINE

[rb4997d09-5] 5.0 ^5.1 UniChem

[re72fcaad-6] Protein Data Bank, 19 Hydref 2016, Saesneg, 3ZUK, 3ZUK

[r0c291f98-7] Protein Data Bank, 19 Hydref 2016, Saesneg, 2HMP, 2HMP

[rfbb8e1c3-8] Protein Data Bank, 19 Hydref 2016, Saesneg, 5CIX, 5CIX

[r827433a4-9] Protein Data Bank, 19 Hydref 2016, Saesneg, 3H7C, 3H7C

[r594384db-10] Protein Data Bank, 19 Hydref 2016, Saesneg, 3FRL, 3FRL

[rcc35ded7-11] Protein Data Bank, 19 Hydref 2016, Saesneg, 3RQ0, 3RQ0

[r93cfb0f6-12] Gemeinsame Normdatei, 1 Mai 2018

[rbc9e7ece-13] Freebase Data Dumps, 28 Hydref 2013

[r7dda851b-14] OpenAlex, 26 Ionawr 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format

[r0cda6c73-15] 15.0 ^15.1 ChEMBL, 17 Tachwedd 2016, Saesneg, TROLAMINE, CHEMBL446061

[r7d631d50-16] KBpedia, 9 Gorffennaf 2020

[rdb8780da-17] ChEBI release 2020-09-01

[r9d0da0c8-18] ChEBI release 2019-10-02

[r685ae57e-19] International Chemical Identifier, InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

[r76075370-20] Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

[r2758fec3-21] 21.0 ^21.1 ^21.2 inferred from InChIKey

[r89e968cf-22] CosIng database, 28 Rhagfyr 2019, 38702, TRIETHANOLAMINE, CAS no.: 102-71-6

[rf8ee0a6f-23] ECHA Substance Infocard database, 27 Rhagfyr 2018, 100.002.773, 2,2',2''-nitrilotriethanol, CAS no.: 102-71-6

[r78c38aaa-24] ChemSpider, 17 Tachwedd 2016, Saesneg, 13835630, Triethanolamine

[r9db4d8b8-25] Hazardous Substances Data Bank, 10 Mai 2021, 28 Hydref 2019, TRIETHANOLAMINE, 893

[r8a3e592b-26] 26.0 ^26.1 Gene Ontology release 2019-11-16

[r594f7e63-27] 27.0 ^27.1 ^27.2 Basic laboratory and industrial chemicals: A CRC quick reference handbook

[r2503c4a2-28] Jean-Claude Bradley Open Melting Point Dataset

[rbe39d653-29] Correlation of the Base Strengths of Amines 1

[r97d1d0dd-30] Metabolite Profiling of Root Exudates of Common Bean under Phosphorus Deficiency

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