Methyl 5-amino-o-anisate

HCID 89843

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Basic information

CAS: 22802-67-1
Standard SMILES: COC(=O)c1cc(N)ccc1OC
InChIKey: PSCXCIPPRCFAAO-UHFFFAOYSA-N
Molecular formula: C9H11NO3
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.07389321

Names & identifiers

Preferred name: Methyl 5-amino-o-anisate
IUPAC: methyl 5-amino-2-methoxybenzoate
English name: methyl 5-amino-o-anisate
Molecular formula: C9H11NO3
Molecular weight: 181.19

Names & synonyms

22802-67-1Methyl 5-amino-o-anisateEINECS 245-230-4DTXSID50177357RefChem:816878DTXCID7099848245-230-4methyl 5-amino-2-methoxybenzoate5-Amino-2-methoxy-benzoic acid methyl esterMFCD08458835methyl5-amino-2-methoxybenzoate5-amino-2-methoxybenzoic acid methyl ester

Show more names

methyl 5-ami-o-anisateMetoclopramide Impurity 415-amino-2-methoxymethyl benzoatemethyl 5-azanyl-2-methoxy-benzoate2-Methoxy-5-aminobenzoic acid methyl ester4-Amino-2-(methoxycarbonyl)anisole, 4-Methoxy-3-(methoxycarbonyl)aniline

Benzoic acid, 5-amino-2-methoxy-, methyl esterSCHEMBL570110methyl 2-methoxy-5-aminobenzoateMethyl-2-methoxy-5-aminobenzoatemethyl 5-amino-2-methoxy-benzoate3-methyloxycarbonyl-4-methoxyanilineSBB053737AKOS000297811

Database identifiers

CAS: 22802-67-1
PubChem CID: 89843
DTXSID: DTXSID50177357
EC Number: 245-230-4
Nikkaji: J286.312J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Boiling point: 329.6 · 329.6±22.0 °C(Predicted)
Density: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.05 · 4.05±0.10(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2916399090 · 2916399090

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)

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362