Basic information
- CAS
106652-65-7- Standard SMILES
CCCCN(C)CC(O)c1cccc(N)c1- InChIKey
LXBPQXGHDDJXAQ-UHFFFAOYSA-N- Molecular formula
- C13H22N2O
- Average molar mass
- 222.33 g/mol
- Monoisotopic mass
- 222.17321333
Names & identifiers
- Preferred name
- Benzyl alcohol, m-amino-alpha-((butylmethylamino)methyl)-
- IUPAC
- 1-(3-aminophenyl)-2-[butyl(methyl)amino]ethanol
Names & synonyms
alpha-(m-Aminophenyl)-beta-butylmethylaminoethanol106652-65-7m-Amino-alpha-((butylmethylamino)methyl)benzyl alcoholBENZYL ALCOHOL, m-AMINO-alpha-((BUTYLMETHYLAMINO)METHYL)-RefChem:328612DTXSID20910071AKOS0115477301-(3-Aminophenyl)-2-[butyl(methyl)amino]ethan-1-ol
Database identifiers
- CAS
106652-65-7- PubChem CID
- 60163
- DTXSID
DTXSID20910071
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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