Basic information
- CAS
85095-77-8- Standard SMILES
OC(CCl)CN1CCCN(CC(O)CCl)c2ccccc21- InChIKey
IEASBLZEYIZUMU-UHFFFAOYSA-N- Molecular formula
- C15H22Cl2N2O2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.1058333
Names & identifiers
- Preferred name
- 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)
- IUPAC
- 1-chloro-3-[5-(3-chloro-2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]propan-2-ol
Names & synonyms
85095-77-8DTXSID0010054571,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)RefChem:1051520DTXCID2014323393,4-Dihydro-alpha,alpha'-bis(chloromethyl)-1H-1,5-benzodiazepine-1,5(2H)-diethanol1H-1,5-Benzodiazepine-1,5(2H)-diethanol, 3,4-dihydro-alpha,alpha'-bis(chloromethyl)-
Database identifiers
- CAS
85095-77-8- PubChem CID
- 3069745
- DTXSID
DTXSID001005457
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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