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2-((2-Aminophenyl)amino)ethan-1-ol

HCID 2114032
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4926-58-3
Standard SMILES
Nc1ccccc1NCCO
InChIKey
SVSMZBHIKNYPRG-UHFFFAOYSA-N
Molecular formula
C8H12N2O
Average molar mass
152.19 g/mol
Monoisotopic mass
152.094963

Names & identifiers

Preferred name
2-((2-Aminophenyl)amino)ethan-1-ol
IUPAC
2-(2-aminoanilino)ethanol
English name
2-[(2-Aminophenyl)amino]ethanol hydrochloride
Molecular formula
C8H12N2O
Molecular weight
152.19

Names & synonyms

2-[(2-aminophenyl)amino]ethan-1-ol2-((2-Aminophenyl)amino)ethan-1-olRefChem:447691892-519-12-[(2-aminophenyl)amino]ethanol4926-58-32-(2-aminoanilino)ethanol2-((2-Aminophenyl)amino)ethanol2-(2-Aminoanilino)ethan-1-olSCHEMBL7375160SCHEMBL29145825SCHEMBL30128490
Show more names
A80244Ethanol, 2-[(2-aminophenyl)amino]-2-(2-Amino-phenylamino)-ethanol HCl2-(2-Aminoanilino)ethan-1-ol, 2-[(2-Hydroxyethyl)amino]aniline, N1-(2-Hydroxyethyl)benzene-1,2-diamine
DTXSID20366599SVSMZBHIKNYPRG-UHFFFAOYSA-NHMS1790A07MFCD06335078AKOS000283183SB84854EN300-40657Z55928991

Database identifiers

CAS
4926-58-3
PubChem CID
2114032
DTXSID
DTXSID20366599
EC Number
892-519-1
Nikkaji
J999.353C

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
58.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
108

Physicochemical properties

Melting point
107 °C · 107 °C
Boiling point
350.2 · 350.2±22.0 °C(Predicted)
Density
1 · 1+-.0.06 g/cm3(Predicted)
pka
14.66 · 14.66±0.10(Predicted)
HS Code
2914500090 · 2914500090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2914500090

Chemistry & industry

Suppliers7 total

平顶山隆维生物科技有限公司15343756688 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

3 records
New reaction record
HRID 1128866 reaction equation
HRID 1128866As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1886050 reaction equation
HRID 1886050As productuspto-grants-1992_09
HRID 1886051 reaction equation
HRID 1886051As reactantuspto-grants-1992_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes