Basic information
- CAS
63991-66-2- Standard SMILES
CCCCCCCCN(C)Cc1ccccc1- InChIKey
QWYNLUCESJHDQQ-UHFFFAOYSA-N- Molecular formula
- C16H27N
- Average molar mass
- 233.39 g/mol
- Monoisotopic mass
- 233.21434987
Names & identifiers
- Preferred name
- Benzylamine, N-methyl-N-octyl-
- IUPAC
- N-benzyl-N-methyloctan-1-amine
- English name
- Methylbenzyloctylamine
- Molecular formula
- C16H27N
- Molecular weight
- 233.39
Names & synonyms
Benzyloctylmethylamine63991-66-2BENZYLAMINE, N-METHYL-N-OCTYL-Octylamine, N-benzyl-N-methyl-BRN 2644937DTXSID502139464-12-00-02167 (Beilstein Handbook Reference)RefChem:328822DTXCID80136437N-benzyl-N-methyloctan-1-amineMethylbenzyloctylamineN-Benzyl-N-methyloctylamine
Show more names
Benzenemethanamine, N-methyl-N-octyl-
SCHEMBL6366898QWYNLUCESJHDQQ-UHFFFAOYSA-NDB-308412
Database identifiers
- CAS
63991-66-2- PubChem CID
- 46295
- DTXSID
DTXSID50213946- Nikkaji
- J69.075I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 161
Related reactions
1 records
Compound notes
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