4-methyl-N-pentylaniline
Basic information
- CAS
5417-68-5- Standard SMILES
CCCCCNc1ccc(C)cc1- InChIKey
VDOVPACVUJTIMZ-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 4-methyl-N-pentylaniline
- IUPAC
- 4-methyl-N-pentylaniline
Names & synonyms
4-methyl-N-pentylaniline5417-68-5N-N-Amyl-p-toluidineNSC7953SCHEMBL2059186SCHEMBL2088459SCHEMBL2256877DTXSID00969123NSC-7953AKOS000259101CS-0297593EN300-165268
Database identifiers
- CAS
5417-68-5- PubChem CID
- 222267
- DTXSID
DTXSID00969123- Nikkaji
- J2.440.416A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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