2-Amino-5-ethylbenzoic acid

HCID 7744486

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Basic information

CAS: 2475-82-3
Standard SMILES: CCc1ccc(N)c(C(=O)O)c1
InChIKey: IGDCBHSYVIAATO-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 2-Amino-5-ethylbenzoic acid
IUPAC: 2-amino-5-ethylbenzoic acid
English name: 2-amino-5-ethylbenzoic acid
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

2-amino-5-ethylbenzoic acid2475-82-3DTXSID20428904RefChem:255700DTXCID50379738877-519-1MFCD02358893Benzoic acid, 2-amino-5-ethyl-2-amino-5-ethyl-benzoic Acid2-amino-5-ethylbenzoicacidOprea1_130367SCHEMBL648210

Show more names

AKOS BBS-00008777OTAVA-BB 7011090009UKRORGSYN-BB BBV-2377822-amino-5-ethylbenzoic acid(SALTDATA: FREE)

IGDCBHSYVIAATO-UHFFFAOYSA-NCAA475822-Amino-5-ethylbenzoic acid, 97%SBB015449AKOS000273139DS-5286SB76193SY106876

Database identifiers

CAS: 2475-82-3
PubChem CID: 7744486
DTXSID: DTXSID20428904
EC Number: 877-519-1

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 126 °C · 126 °C(Solv: ligroine (8032-32-4))
Boiling point: 326.1 · 326.1±35.0 °C(Predicted)
Density: 1.205 · 1.205±0.06 g/cm3(Predicted)
pka: 2.27 · 2.27±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501