Methyl 2-amino-4-methylbenzoate

HCID 11205965
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Basic information

CAS
18595-17-0
Standard SMILES
COC(=O)c1ccc(C)cc1N
InChIKey
VAQBJVZNPBNHGC-UHFFFAOYSA-N
Molecular formula
C9H11NO2
Average molar mass
165.19 g/mol
Monoisotopic mass
165.07897859

Names & identifiers

Preferred name
Methyl 2-amino-4-methylbenzoate
IUPAC
methyl 2-amino-4-methylbenzoate
English name
2-Amino-4-methylbenzoic acid methyl ester
Molecular formula
C9H11NO2
Molecular weight
165.19

Names & synonyms

Methyl 2-amino-4-methylbenzoate18595-17-02-Amino-4-methylbenzoic acid methyl estermethyl 4-methylanthranilateMFCD09998260Methyl 2-amino-4-methyl-benzoatemethyl2-amino-4-methylbenzoateBenzoic acid, 2-amino-4-methyl-, methyl esterBoc-Pamb-OHSCHEMBL1129582DTXSID20458645VAQBJVZNPBNHGC-UHFFFAOYSA-N
Show more names
2-Amino-4-methylbenzoic acid methyl ester 98%
AR2393AKOS006302165DS-1251SB76096AC-28495SY0344732-Amino-4-methyl-benzoic acid methyl esterDB-011584

Database identifiers

CAS
18595-17-0
PubChem CID
11205965
DTXSID
DTXSID20458645
Nikkaji
J82.778I

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
35 · 35-36℃
Boiling point
269 ℃ · 269℃
Density
1.132 · 1.132
Flash point
130 ℃ · 130℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
2.42 · 2.42±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2916399090

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers68 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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