2-chloro-N,N-dimethyl-2-phenylethanamine
Basic information
- CAS
6407-17-6- Standard SMILES
CN(C)CC(Cl)c1ccccc1- InChIKey
BHDHMUNVUMGSIY-UHFFFAOYSA-N- Molecular formula
- C10H14ClN
- Average molar mass
- 183.68 g/mol
- Monoisotopic mass
- 183.0814771
Names & identifiers
- Preferred name
- 2-chloro-N,N-dimethyl-2-phenylethanamine
- IUPAC
- 2-chloro-N,N-dimethyl-2-phenylethanamine
- English name
- Benzeneethanamine, β-chloro-N,N-dimethyl-
- Molecular formula
- C10H14ClN
- Molecular weight
- 183.68
Names & synonyms
2-chloro-N,N-dimethyl-2-phenylethanamineF2WN67C3SK6407-17-6(2-Chloro-2-phenylethyl)dimethylamineUNII-F2WN67C3SKbeta-Chloro-N,N-dimethylbenzeneethanamineN,N-Dimethyl-2-chloro-2-phenylethylamine(beta-Chloro-phenethyl)-dimethyl-aminePhenethylamine, beta-chloro-N,N-dimethyl-Benzeneethanamine, beta-chloro-N,N-dimethyl-Mianserin Impurity 117SCHEMBL7319610
Show more names
Benzeneethanamine, β-chloro-N,N-dimethyl-
DTXSID101283012N,N-dimethyl-2-chloro-2-phenyl-ethylamine2-Chloro-N,N-dimethyl-2-phenylethan-1-amine(.BETA.-CHLORO-PHENETHYL)-DIMETHYL-AMINE.BETA.-CHLORO-N,N-DIMETHYLBENZENEETHANAMINEPHENETHYLAMINE, .BETA.-CHLORO-N,N-DIMETHYL-BENZENEETHANAMINE, .BETA.-CHLORO-N,N-DIMETHYL-Q62487235
Database identifiers
- CAS
6407-17-6- PubChem CID
- 208446
- DTXSID
DTXSID101283012- UNII
- F2WN67C3SK
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 211.4 · 211.4±28.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 8.2 · 8.20±0.28(Predicted)
- form
- solid
- InChI
- 1S/C10H14ClN/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
- InChIKey
- BHDHMUNVUMGSIY-UHFFFAOYSA-N
- FDA UNII
- 2 WN67C3SK · F2WN67C3SK
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H400
- Precautionary statements
- 261 · P261-P273-P280-P333+P313-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Sens. 1
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319-H400
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P273-P280-P333+P313-P391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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