4-(azepan-2-yl)-N,N-dimethylaniline
Basic information
- CAS
383128-95-8- Standard SMILES
CN(C)c1ccc(C2CCCCCN2)cc1- InChIKey
BMOCNWFSKKENGB-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 4-(azepan-2-yl)-N,N-dimethylaniline
- IUPAC
- 4-(azepan-2-yl)-N,N-dimethylaniline
- English name
- (4-Azepan-2-yl-phenyl)-dimethyl-amine
- Molecular formula
- C14H22N2
- Molecular weight
- 218.34
Names & synonyms
4-(azepan-2-yl)-N,N-dimethylaniline383128-95-8MFCD02663693(4-Azepan-2-yl-phenyl)-dimethyl-amine4-(azepan-2-yl)-N,N-dimethyl-anilineSCHEMBL2111952Benzenamine,4-(hexahydro-1H-azepin-2-yl)-N,N-dimethyl-DTXSID40398413AKOS001476002SB78867EN300-11532584-azepan-2-yl-N,N-dimethylaniline
Show more names
4-(2-AZEPANYL)-N,N-DIMETHYLANILINEBenzenamine, 4-(hexahydro-1H-azepin-2-yl)-N,N-dimethyl-
Database identifiers
- CAS
383128-95-8- PubChem CID
- 3989625
- DTXSID
DTXSID40398413
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 344.9 · 344.9±35.0 °C(Predicted)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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