CAS 64018-98-0 Ethyl 2-amino-5-methoxybenzoate (HCID 21291483)

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Basic information

CAS: 64018-98-0
Standard SMILES: CCOC(=O)c1cc(OC)ccc1N
InChIKey: POJXEDATMPDTHT-UHFFFAOYSA-N
Molecular formula: C10H13NO3
Average molar mass: 195.21 g/mol
Monoisotopic mass: 195.08954328

Names & identifiers

Preferred name: Ethyl 2-amino-5-methoxybenzoate
IUPAC: ethyl 2-amino-5-methoxybenzoate
English name: Ethyl 2-amino-5-methoxybenzoate
Molecular formula: C10H13NO3
Molecular weight: 195.22

Names & synonyms

ETHYL 2-AMINO-5-METHOXYBENZOATE64018-98-0MFCD11111632ethyl 2-amino-5-methoxy-benzoateEthyl2-amino-5-methoxybenzoateBenzoic acid, 2-amino-5-methoxy-, ethyl esterSCHEMBL1800718DTXSID40612060POJXEDATMPDTHT-UHFFFAOYSA-NAKOS010056250AB63623BS-29135

Show more names

DA-343412-Amino-5-methoxy-benzoic acid ethyl esterCS-0151824D95030EN300-6510875F692660Z594219056

Database identifiers

CAS: 64018-98-0
PubChem CID: 21291483
DTXSID: DTXSID40612060

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 38 · 38-40 °C
Boiling point: 313 · 313.0±22.0 °C(Predicted)
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 2.71 · 2.71±0.10(Predicted)
Appearance: Light yellow to brown Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2922500090 · 2922500090

Safety & regulation

Safety data

hs_code: 2922500090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501