2-Amino-5-(methoxycarbonyl)benzoic acid

HCID 13105036CAS 63746-25-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(N)c(C(=O)O)c1
InChIKey
XIGSLVIYSSSYNA-UHFFFAOYSA-N
Molecular formula
C9H9NO4
Average molar mass
195.17 g/mol
Monoisotopic mass
195.05315777

Names & identifiers

Preferred name
2-Amino-5-(methoxycarbonyl)benzoic acid
IUPAC
2-amino-5-methoxycarbonylbenzoic acid
English name
2-Amino-5-methoxycarbonyl benzoic acid
Molecular formula
C9H9NO4
Molecular weight
195.17

Names & synonyms

2-Amino-5-(methoxycarbonyl)benzoic acid63746-25-82-Amino-5-methoxycarbonyl benzoic acid2-amino-5-methoxycarbonylbenzoic acidMFCD086900642-amino-5-methoxycarbonyl-benzoic acid1,3-Benzenedicarboxylic acid, 4-amino-, 1-methyl esterSCHEMBL3497730DTXSID00518271XIGSLVIYSSSYNA-UHFFFAOYSA-NNCA74625AKOS002020019
Show more names
2-amino-5-(methyloxycarbonyl)benzenemacetic acid
2-Amino-5-(methoxycarbonyl)benzoicAcidCCG-185486AC-23529AS-31168SY013362DB-073389CS-0205220EN300-133966

Database identifiers

CAS
63746-25-8
PubChem CID
13105036
DTXSID
DTXSID00518271

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
89.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
224 · 224-225 °C (decomp)
Boiling point
424.5 · 424.5±35.0 °C(Predicted)
Density
1.373 · 1.373±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
solid
pka
4.57 · 4.57±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2922498590
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Amino-5-(methoxycarbonyl)benzoic acid is used in organic synthesis or chemical experimental research.

Upstream & downstream products

Suppliers29 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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