Basic information
- CAS
2044702-28-3- Standard SMILES
Cl.NC1COc2ccccc2NC1=O- InChIKey
JLEUXCRXFGAHLK-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0509053
Names & identifiers
- Preferred name
- 3-Amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one hydrochloride
- IUPAC
- 3-amino-3,5-dihydro-2H-1,5-benzoxazepin-4-one;hydrochloride
Names & synonyms
2044702-28-33-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one hydrochloride3-amino-3,5-dihydro-2H-1,5-benzoxazepin-4-one;hydrochloride3-Amino-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one hydrochloride7-Amino-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one hydrochlorideSCHEMBL22355971,5-Benzoxazepin-4(5H)-one, 3-amino-2,3-dihydro-,monohydrochloride, (S)-1,5-Benzoxazepin-4(5H)-one, 3-amino-2,3-dihydro-,monohydrochloride, (3R)-PAB47867UGD70228ZDA19791MFCD30489078
Show more names
SB38084SB40366EN300-64783927-Amino-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one HCl
Database identifiers
- CAS
2044702-28-3- PubChem CID
- 21974591
- EC Number
- 888-524-3
Properties
Computed structural properties
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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