Basic information
- CAS
1210824-92-2- Standard SMILES
COC(=O)c1ccc(N)c(N)c1.Cl- InChIKey
VHQRLZRJSQHZSA-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O2
- Average molar mass
- 202.64 g/mol
- Monoisotopic mass
- 202.0509053
Names & identifiers
- Preferred name
- 3,4-Diaminobenzoic Acid Methyl Ester Hydrochloride
- IUPAC
- methyl 3,4-diaminobenzoate;hydrochloride
- English name
- 3,4-Diaminobenzoic Acid Methyl Ester Hydrochloride
- Molecular formula
- C8H11ClN2O2
- Molecular weight
- 202.63814
Names & synonyms
1210824-92-23,4-Diaminobenzoic Acid Methyl Ester HydrochlorideMethyl 3,4-Diaminobenzoate Hydrochloridemethyl 3,4-diaminobenzoate;hydrochlorideSCHEMBL7251305DTXSID30592564VHQRLZRJSQHZSA-UHFFFAOYSA-NDB-304060CS-0442284Methyl 3,4-diaminobenzoate--hydrogen chloride (1/1)4-CarboMethoxy-o-phenylenediaMine HydrochlorideMethyl 3,4-DiaMinobenzenecarboxylate Hydrochlorid
Show more names
4-Methoxycarbonyl-o-phenylenediaMine Hydrochloride4-(Methoxycarbonyl)-1,2-benzenediaMine Hydrochloride
Database identifiers
- CAS
1210824-92-2- PubChem CID
- 18174645
- DTXSID
DTXSID30592564
Properties
Computed structural properties
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Chemistry & industry
Applications
Uses1,2-Dibenzamidobenzene inhibitors of Human Factor Xa.
Suppliers6 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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