Basic information
- CAS
157363-54-7- Standard SMILES
CCCCCC(C)N(CCCC)c1ccccc1- InChIKey
PHVYYKBZCNGPEY-UHFFFAOYSA-N- Molecular formula
- C17H29N
- Average molar mass
- 247.4 g/mol
- Monoisotopic mass
- 247.22999993
Names & identifiers
- Preferred name
- N-Butyl-N-(heptan-2-YL)aniline
- IUPAC
- N-butyl-N-heptan-2-ylaniline
Names & synonyms
157363-54-7N-BUTYL-N-(HEPTAN-2-YL)ANILINESCHEMBL7163078DTXSID20592376PHVYYKBZCNGPEY-UHFFFAOYSA-NN-butyl-N-(1-methylhexyl)anilineN-n-butyl-N-(1-methylhexyl)aniline
Database identifiers
- CAS
157363-54-7- PubChem CID
- 18000381
- DTXSID
DTXSID20592376- EC Number
- 605-100-3
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 184
Related reactions
10 records
Compound notes
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