CAS 913297-16-2 Benzoic acid, 3-amino-2-(methylamino)-, methyl ester (HCID 59202087)

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Basic information

CAS: 913297-16-2
Standard SMILES: CNc1c(N)cccc1C(=O)OC
InChIKey: DYEWVWBFGKVSRC-UHFFFAOYSA-N
Molecular formula: C9H12N2O2
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.08987762

Names & identifiers

Preferred name: Benzoic acid, 3-amino-2-(methylamino)-, methyl ester
IUPAC: methyl 3-amino-2-(methylamino)benzoate

Names & synonyms

methyl 3-amino-2-(methylamino)benzoate913297-16-2Benzoic acid, 3-amino-2-(methylamino)-, methyl esterDTXSID101217936RefChem:565781DTXCID001649257891-723-8SCHEMBL2085084DYEWVWBFGKVSRC-UHFFFAOYSA-NNLB29716Methyl 3-amino-2-methylaminobenzoatemethyl3-amino-2-(methylamino)benzoate

Show more names

DB-431030EN300-297979

Database identifiers

CAS: 913297-16-2
PubChem CID: 59202087
DTXSID: DTXSID101217936
EC Number: 891-723-8

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.