alpha-((Cyclohexylamino)methyl)benzenemethanol
Basic information
- CAS
6589-48-6- Standard SMILES
OC(CNC1CCCCC1)c1ccccc1- InChIKey
ISYFTHDLBGNHQW-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- alpha-((Cyclohexylamino)methyl)benzenemethanol
- IUPAC
- 2-(cyclohexylamino)-1-phenylethanol
- English name
- 2-Cyclohexylamino-1-phenylethanol
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
2-Cyclohexylamino-1-phenylethanol6589-48-6DTXSID501265137RefChem:1076401DTXCID60866588alpha-((Cyclohexylamino)methyl)benzenemethanol229-523-42-(cyclohexylamino)-1-phenylethanol2-(cyclohexylamino)-1-phenylethan-1-olEthanol, 2-cyclohexylamino-1-phenyl-MFCD00021321Benzenemethanol, .alpha.-[(cyclohexylamino)methyl]-
Show more names
TIMTEC-BB SBB007830LABOTEST-BB LT011478202-CYCLOHEXYLAMINO-1-PHENYL-ETHANOα-[(Cyclohexylamino)methyl]benzenemethanolalpha-(cyclohexylamino)methyl-benzylalcohoBenzenemethanol, α-[(cyclohexylamino)methyl]-Benzyl alcohol, alpha-((cyclohexylamino)methyl)-
Benzyl alcohol, .alpha.-[(cyclohexylamino)methyl]-EINECS 229-523-4Benzyl alcohol, .alpha.-((cyclohexylamino)methyl)-NSC 62916BRN 0979544Benzenemethanol, alpha-((cyclohexylamino)methyl)-NSC62916BENZYL ALCOHOL, alpha-(CYCLOHEXYLAMINO)METHYL-
Database identifiers
- CAS
6589-48-6- PubChem CID
- 23064
- DTXSID
DTXSID501265137- ChEMBL
CHEMBL1900843- EC Number
- 229-523-4
- Nikkaji
- J69.026K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 147 °C · 147 °C(Press: 1 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.20(Predicted)
- CAS DataBase Reference
- 6589 · 6589-48-6(CAS DataBase Reference)
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Compound notes
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