Benzyl(dimethyl)amine oxide hydrate
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Basic information
- CAS
810681-28-8- Standard SMILES
C[N+](C)([O-])Cc1ccccc1.O- InChIKey
FSFJMQJXOHSLCV-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- Benzyl(dimethyl)amine oxide hydrate
- IUPAC
- N,N-dimethyl-1-phenylmethanamine oxide;hydrate
- English name
- Benzenemethanamine, N,N-dimethyl-, N-oxide, monohydrate (9CI)
- Molecular formula
- C9H13NO.H2O
- Molecular weight
- 0
Names & synonyms
810681-28-8Benzyl(dimethyl)amine oxide hydrateDTXSID30669265N,N-Dimethyl(phenyl)methanamine N-oxide--water (1/1)Benzenemethanamine, N,N-dimethyl-, N-oxide, monohydrate (9CI)
Database identifiers
- CAS
810681-28-8- PubChem CID
- 45121920
- DTXSID
DTXSID30669265
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 19.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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