Basic information
- CAS
328289-91-4- Standard SMILES
CC1CCCC(C)N1Cc1ccc(N)cc1- InChIKey
OXTPGYNBWHJWOR-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 4-(2,6-Dimethyl-piperidin-1-ylmethyl)-phenylamine
- IUPAC
- 4-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
- English name
- 4-(2,6-Dimethyl-piperidin-1-ylmethyl)-phenylamine
- Molecular formula
- C14H22N2
- Molecular weight
- 218.34
Names & synonyms
328289-91-44-(2,6-Dimethyl-piperidin-1-ylmethyl)-phenylamine4-((2,6-Dimethylpiperidin-1-yl)methyl)aniline4-[(2,6-dimethylpiperidin-1-yl)methyl]aniline4-[(2,6-dimethylpiperidyl)methyl]phenylamineBAS 063483464-(2,6-dimethylpiperidin-1-ylmethyl)phenylamineTimTec1_008411SCHEMBL3146950DTXSID00390034OXTPGYNBWHJWOR-UHFFFAOYSA-NHMS1557O07
Show more names
TIMTEC-BB SBB0113944-[(2,6-Dimethyl-1-piperidinyl)methyl]aniline4-(2,6-Dimethylpiperidin-1-ylmethyl)benzenamineBenzenamine, 4-[(2,6-dimethyl-1-piperidinyl)methyl]-
SBB011394AKOS000143751AKOS022474768ST50023935SR-010003238204-[(2,6-dimethyl-piperidin-1-yl)-methyl]-anilineSR-01000323820-1{4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl}amine
Database identifiers
- CAS
328289-91-4- PubChem CID
- 3153997
- DTXSID
DTXSID00390034
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 325.5 · 325.5±17.0 °C(Predicted)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- pka
- 10.61 · 10.61±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
5 records
Compound notes
Loading…