Basic information
- CAS
23563-27-1- Standard SMILES
CCCCOc1ccc(NC)cc1- InChIKey
YSYJCSBOFKEZMR-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Names & identifiers
- Preferred name
- Aniline, p-butoxy-N-methyl-
- IUPAC
- 4-butoxy-N-methylaniline
Names & synonyms
ANILINE, p-BUTOXY-N-METHYL-p-Butoxy-N-methylaniline23563-27-1BRN 2830731DTXSID001781573-13-00-01008 (Beilstein Handbook Reference)RefChem:319670DTXCID301006484-butoxy-N-methylanilineSCHEMBL2095902SCHEMBL2095905YSYJCSBOFKEZMR-UHFFFAOYSA-N
Database identifiers
- CAS
23563-27-1- PubChem CID
- 31989
- DTXSID
DTXSID00178157
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
Related reactions
2 records
Compound notes
Loading…