Methyl 5-amino-2,4-dimethoxybenzoate

HCID 16638096

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Basic information

CAS: 70752-22-6
Standard SMILES: COC(=O)c1cc(N)c(OC)cc1OC
InChIKey: RYVYYLPISGDRFX-UHFFFAOYSA-N
Molecular formula: C10H13NO4
Average molar mass: 211.21 g/mol
Monoisotopic mass: 211.0844579

Names & identifiers

Preferred name: Methyl 5-amino-2,4-dimethoxybenzoate
IUPAC: methyl 5-amino-2,4-dimethoxybenzoate
English name: Methyl 5-aMino-2,4-diMethoxybenzoate
Molecular formula: C10H13NO4
Molecular weight: 211.21

Names & synonyms

methyl 5-amino-2,4-dimethoxybenzoate70752-22-6methyl5-amino-2,4-dimethoxybenzoateSCHEMBL8902306DTXSID00586258RYVYYLPISGDRFX-UHFFFAOYSA-NAKOS000277588SB79158DB-334868EN300-20083425-Amino-2,4-dimethoxy-benzoic acid methyl esterBenzoic acid, 5-amino-2,4-dimethoxy-, methyl ester

Database identifiers

CAS: 70752-22-6
PubChem CID: 16638096
DTXSID: DTXSID00586258

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 221

Physicochemical properties

storage temp.: Store at Room Tem.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501