Methyl 2-amino-1H-benzimidazole-6-carboxylate

HCID 17834337
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Basic information

CAS
106429-38-3
Standard SMILES
COC(=O)c1ccc2nc(N)[nH]c2c1
InChIKey
WHVPFOLJDWVLSZ-UHFFFAOYSA-N
Molecular formula
C9H9N3O2
Average molar mass
191.19 g/mol
Monoisotopic mass
191.06947653

Names & identifiers

Preferred name
Methyl 2-amino-1H-benzimidazole-6-carboxylate
IUPAC
methyl 2-amino-3H-benzimidazole-5-carboxylate
English name
1H-Benzimidazole-5-carboxylicacid,2-amino-,methylester(9CI)
Molecular formula
C9H9N3O2
Molecular weight
191.19

Names & synonyms

106429-38-3methyl 2-amino-1H-1,3-benzodiazole-5-carboxylateMethyl 2-amino-1H-benzimidazole-6-carboxylateDTXSID60591181RefChem:813811DTXCID20541945976-288-5Methyl 2-amino-1H-benzo[d]imidazole-5-carboxylateMethyl 2-amino-1H-benzimidazole-5-carboxylatemethyl 2-amino-3H-benzimidazole-5-carboxylate1H-Benzimidazole-6-carboxylicacid, 2-amino-, methyl esterMFCD08752985
Show more names
METHYL-2-AMINO BENZIMIDAZOLE-5(6)-CARBOXYLIC ACID2-aminobenzimidazole-5-carboxylic acid methyl ester1H-Benzimidazole-5-carboxylicacid,2-amino-,methylester1H-Benzimidazole-5-carboxylicacid,2-amino-,methylester(9CI) USP/EP/BP
Methyl 2-aminobenzimidazole-5-carboxylatemethyl 2-amino-3H-benzo[d]imidazole-5-carboxylate1H-Benzimidazole-5-carboxylicacid,2-amino-,methylester(9CI)methyl 2-a1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTERSCHEMBL1202574SCHEMBL46820762-amino-1H-benzoimidazole-5-carboxylic acid methyl ester

Database identifiers

CAS
106429-38-3
PubChem CID
17834337
DTXSID
DTXSID60591181
EC Number
976-288-5
Nikkaji
J3.080.693J

Properties

Computed structural properties

XLogP
1.1
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.
Keep in dark place,Inert atmosphere,Room temperature
pka
10.56 · 10.56±0.10(Predicted)
Appearance
Light brown to brown Solid
HS Code
2933998090 · 2933998090

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090

Chemistry & industry

Suppliers52 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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