2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
Basic information
- CAS
126807-04-3- Standard SMILES
CCCCCOC1(c2ccccc2)CN(C)C2CCCCC2O1.Cl- InChIKey
NQJJBEJOJUYEKJ-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
- IUPAC
- 4-methyl-2-pentoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazine;hydrochloride
Names & synonyms
126807-04-32H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochlorideRefChem:1065140Octahydro-4-methyl-2-(pentyloxy)-2-phenyl-2H-1,4-benzoxazine hydrochlorideDTXSID709257114-Methyl-2-(pentyloxy)-2-phenyloctahydro-2H-1,4-benzoxazine--hydrogen chloride (1/1)
Database identifiers
- CAS
126807-04-3- PubChem CID
- 3079963
- DTXSID
DTXSID70925711
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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