4,5,6,7-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-1H-1,3-diazepine
Basic information
- CAS
33210-37-6- Standard SMILES
CCOC(C1=NCCCCN1)c1ccc(Cl)cc1- InChIKey
OOABKCSOFUFBLV-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O
- Average molar mass
- 266.76 g/mol
- Monoisotopic mass
- 266.1185909
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-1H-1,3-diazepine
- IUPAC
- 2-[(4-chlorophenyl)-ethoxymethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
- English name
- 4,5,6,7-Tetrahydro-2-(p-chloro-α-ethoxybenzyl)-1H-1,3-diazepine
- Molecular formula
- C14H19ClN2O
- Molecular weight
- 266.76646
Names & synonyms
4,5,6,7-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-1H-1,3-diazepine33210-37-6BRN 07957462-(p-Chloro-alpha-ethoxybenzyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine4,5,6,7-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-1H-1,3-diazepine1H-1,3-Diazepine, 2-(p-chloro-alpha-ethoxybenzyl)-4,5,6,7-tetrahydro-1H-1,3-DIAZEPINE, 4,5,6,7-TETRAHYDRO-2-(p-CHLORO-alpha-ETHOXYBENZYL)-DTXSID209548192-[(4-Chlorophenyl)(ethoxy)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine4,5,6,7-Tetrahydro-2-(p-chloro-α-ethoxybenzyl)-1H-1,3-diazepine1H-1,3-Diazepine, 2-[(4-chlorophenyl)ethoxymethyl]-4,5,6,7-tetrahydro-
Database identifiers
- CAS
33210-37-6- PubChem CID
- 36377
- DTXSID
DTXSID20954819- Nikkaji
- J72.751B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 414.4 · 414.4±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 11.32 · 11.32±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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