Basic information
- CAS
2849-07-2- Standard SMILES
[Cl-].c1ccc2c(c1)N=C([NH+]1CCOCC1)Nc1ccccc1-2- InChIKey
PWUUTQQEDPXTHJ-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1138399
Names & identifiers
- Preferred name
- 5H-Dibenzo(d,f)(1,3)diazepine, 6-morpholino-, monohydrochloride
- IUPAC
- 4-(7H-benzo[d][1,3]benzodiazepin-6-yl)morpholin-4-ium chloride
Names & synonyms
6-Morpholino-5H-dibenzo(d,f)(1,3)diazepine hydrochloride5H-DIBENZO(d,f)(1,3)DIAZEPINE, 6-MORPHOLINO-, MONOHYDROCHLORIDE2849-07-2RefChem:305636
Database identifiers
- CAS
2849-07-2- PubChem CID
- 17840
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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