methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate

HCID 24730367
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Basic information

CAS
910122-42-8
Standard SMILES
COC(=O)c1cccc2[nH]c(N)nc12
InChIKey
SAWDEISHFZINBK-UHFFFAOYSA-N
Molecular formula
C9H9N3O2
Average molar mass
191.19 g/mol
Monoisotopic mass
191.06947653

Names & identifiers

Preferred name
methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate
IUPAC
methyl 2-amino-1H-benzimidazole-4-carboxylate
English name
Methyl 2-AMino-1H-benzoiMidazole-4-carboxylate
Molecular formula
C9H9N3O2
Molecular weight
191.19

Names & synonyms

910122-42-8methyl 2-amino-1H-benzo[d]imidazole-4-carboxylateMethyl 2-Amino-1H-benzoimidazole-4-carboxylateMethyl 2-amino-1H-benzimidazole-4-carboxylateMFCD08436207Methyl2-Amino-1H-benzoimidazole-4-carboxylateAS-32046CS-0044485EN300-1491092-amino-3H-benzoimidazole-4-carboxylic acid methyl estermethyl 2-amino-1H-1,3-benzodiazole-4-carboxylateSCHEMBL1202057
Show more names
2-amino-1h-benzimidazole-4-methyl formateMethyl 2-amino-1H-benzimidazole-7-carboxylateMethyl 2-aMino-1H-benzo[d]iMidazole-7-carboxylateMETHYL-2-AMINO BENZIMIDAZOLE-4(7)-CARBOXYLIC ACID2-Amino-1H-Benzimidazol-4-carboxylic acid methyl ester2-Amino-1H-benzimidazole-7-carboxylic acid methyl ester1H-Benzimidazole-7-carboxylic acid, 2-amino-, methyl ester
SCHEMBL1202374DTXSID80647093SAWDEISHFZINBK-UHFFFAOYSA-NAKOS006288397AKOS017405252SY015529DB-355439F234285

Database identifiers

CAS
910122-42-8
PubChem CID
24730367
DTXSID
DTXSID80647093

Properties

Computed structural properties

XLogP
1
Topological polar surface area
81 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
427 · 427.0±37.0 °C(Predicted)
Density
1.413 · 1.413±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
9.01 · 9.01±0.30(Predicted)
Appearance
Off-white to light brown Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers44 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

52 records
New reaction record

Compound notes

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