N-phenylethanolamine (Q15632814)

2-ANILINOETHANOL (English)

14 October 2016

chemical formula

C₈H₁₁NO

1 reference

2-ANILINOETHANOL (English)

14 October 2016

canonical SMILES

C1=CC=C(C=C1)NCCO

1 reference

2-ANILINOETHANOL (English)

14 October 2016

melting point

−30.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

1 reference

2-ANILINOETHANOL (English)

14 October 2016

1 reference

Global Substance Registration System

2-ANILINOETHANOL (English)

14 October 2016

2 references

N-phenylethanolamine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=122-98-5

9 April 2021

1 reference

2-Anilinoethanol (English)

14 October 2016

2 references

2-ANILINOETHANOL (English)

14 October 2016

ChEBI ID

194595

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

1 reference

CHEMBL1908069 (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20031248

1 reference

imported from Wikimedia project

ZVG number

492858

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

204-588-1

1 reference

Global Substance Registration System

N-phenylethanolamine (English)

ECHA Substance Infocard ID

14 October 2016

100.004.172

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.172

27 December 2018

AICS Chemical ID (BEING DELETED)

2-anilinoethanol (English)

quotation

CAS no.: 122-98-5 (English)

3471

0 references

Human Metabolome Database ID

HMDB0245030

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

N-phenylethanolamine (English)

14 October 2016