Basic information
- CAS
85095-78-9- Standard SMILES
OC(CCl)CN1CCCN(CC(O)CCl)CC1- InChIKey
FLERFWIRPBUVGF-UHFFFAOYSA-N- Molecular formula
- C11H22Cl2N2O2
- Average molar mass
- 285.21 g/mol
- Monoisotopic mass
- 284.1058333
Names & identifiers
- Preferred name
- 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)
- IUPAC
- 1-chloro-3-[4-(3-chloro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
- English name
- N(sup 1),N(sup 4)-Bis-(gamma-chloro-beta-hydroxypropyl)hexahydro-1,4-d iazepine
- Molecular formula
- C11H22Cl2N2O2
- Molecular weight
- 285.21058
Names & synonyms
85095-78-9DTXSID7010054581,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)RefChem:1051500DTXCID5014323401H-1,4-Diazepine-1,4(5H)-diethanol, tetrahydro-alpha'-bis(chloromethyl)-N(sup 1),N(sup 4)-Bis-(gamma-chloro-beta-hydroxypropyl)hexahydro-1,4-diazepineTetrahydro-alpha,alpha'-bis(chloromethyl)-1H-1,4-diazepine-1,4(5H)-diethanolN(sup 1),N(sup 4)-Bis-(gamma-chloro-beta-hydroxypropyl)hexahydro-1,4-d iazepine
Database identifiers
- CAS
85095-78-9- PubChem CID
- 3069746
- DTXSID
DTXSID701005458- Nikkaji
- J57.937H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 190
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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