Basic information
- CAS
42510-47-4- Standard SMILES
CCOC(=O)C1=CNc2ccccc2N=C1N.Cl- InChIKey
YOOSSYCBDAHLEA-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3O2
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.0774544
Names & identifiers
- Preferred name
- 6TT3C49Tkx
- IUPAC
- ethyl 4-amino-1H-1,5-benzodiazepine-3-carboxylate;hydrochloride
Names & synonyms
6TT3C49TKXEthyl 4-amino-1H-1,5-benzodiazepine-3-carboxylate hydrochloride1H-1,5-Benzodiazepine-3-carboxylic acid, 4-amino-, ethyl ester, hydrochloride (1:1)1H-1,5-Benzodiazepine-3-carboxylic acid, 4-amino-, ethyl ester, monohydrochloride42510-47-4
Database identifiers
- CAS
42510-47-4- PubChem CID
- 176489757
- UNII
- 6TT3C49TKX
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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