Methyl 2-(3-amino-4-hydroxyphenyl)acetate

HCID 1475136

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Basic information

CAS: 78587-72-1
Standard SMILES: COC(=O)Cc1ccc(O)c(N)c1
InChIKey: CEPDWEWFQRUWPP-UHFFFAOYSA-N
Molecular formula: C9H11NO3
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.07389321

Names & identifiers

Preferred name: Methyl 2-(3-amino-4-hydroxyphenyl)acetate
IUPAC: methyl 2-(3-amino-4-hydroxyphenyl)acetate
English name: methyl 2-(3-amino-4-hydroxyphenyl)acetate
Molecular formula: C9H11NO3
Molecular weight: 181.19

Names & synonyms

methyl 2-(3-amino-4-hydroxyphenyl)acetate78587-72-1DTXSID60363067DTXCID00314114RefChem:353824881-778-6methyl 3-amino-4-hydroxyphenylacetateMFCD04125316methyl (3-amino-4-hydroxyphenyl)acetate(3-Amino-4-hydroxyphenyl)acetic acid methyl esterMLS000736201SCHEMBL287469

Show more names

METHYLAMINOHYDROXYPHENYLACETATEMethyl 2-(3-amino-4-hydroxyphenyl)Methyl3-amino-4-hydroxyphenylacetate95%Methyl 3-amino-4-hydroxyphenylacetate 95%Benzeneacetic acid, 3-amino-4-hydroxy-, methyl ester3-Amino-4-hydroxyphenylacetic acid methyl ester, 2-Amino-4-(2-methoxy-2-oxoethyl)phenol

CHEMBL1372098CEPDWEWFQRUWPP-UHFFFAOYSA-NHMS2660I07DDA58772SBB089793methyl-3-amino-4-hydroxyphenylacetateAKOS005070314CS-W000711

Database identifiers

CAS: 78587-72-1
PubChem CID: 1475136
DTXSID: DTXSID60363067
ChEMBL: CHEMBL1372098
EC Number: 881-778-6

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 102 · 102-105°
storage temp.: 2 · 2-8°C
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2922500090 · 2922500090

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.

Safety data

hs_code: 2922500090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501