Basic information
- CAS
19732-39-9- Standard SMILES
c1ccc(C(OCCN2CCCOCC2)c2ccccc2)cc1- InChIKey
TZJTVQRBDZCQFU-UHFFFAOYSA-N- Molecular formula
- C20H25NO2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18852904
Overview
structure
Names & identifiers
- Preferred name
- Linadryl H
- IUPAC
- 4-(2-benzhydryloxyethyl)-1,4-oxazepane
- English name
- 4-[2-(Diphenylmethoxy)ethyl]hexahydro-1,4-oxazepine
- Molecular formula
- C20H25NO2
- Molecular weight
- 311.42
Names & synonyms
Linadryl H19732-39-9DTXSID301734134-(2-diphenylmethoxyethyl)morpholineRefChem:153475DTXCID6095904BRN 1139673N-(2-Benzhydryloksy-etylo)homomorfolina [Polish]Hexahydro-4-(2-(diphenylmethoxy)ethyl)-1,4-oxazepineN-(2-Benzhydryloksy-etylo)homomorfolina4-[2-(DIPHENYLMETHOXY)ETHYL]-1,4-OXAZEPANE1,4-Oxazepine, hexahydro-4-(2-(diphenylmethoxy)ethyl)-
Show more names
N-(2-Benzhydryloxyethyl)homomorpholine4-(2-benzhydryloxy-ethyl)-[1,4]oxazepane4-[2-(Diphenylmethoxy)ethyl]hexahydro-1,4-oxazepine1,4-Oxazepine, 4-[2-(diphenylmethoxy)ethyl]hexahydro-
Database identifiers
- CAS
19732-39-9- PubChem CID
- 197985
- DTXSID
DTXSID30173413- Nikkaji
- J394.972I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 152 · 152-157 °C
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 7.97 · 7.97±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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