CAS 23349-86-2 3-Chloro-2-methylpropyl(dimethyl)amine (HCID 90906)

Substructure search Find similar structures

Basic information

CAS: 23349-86-2
Standard SMILES: CC(CCl)CN(C)C
InChIKey: UGXACBBAXFABGT-UHFFFAOYSA-N
Molecular formula: C6H14ClN
Average molar mass: 135.63 g/mol
Monoisotopic mass: 135.0814771

Names & identifiers

Preferred name: 3-Chloro-2-methylpropyl(dimethyl)amine
IUPAC: 3-chloro-N,N,2-trimethylpropan-1-amine
English name: 3-chloro-2-methylpropyl(dimethyl)amine
Molecular formula: C6H14ClN
Molecular weight: 135.63506

Names & synonyms

3-Chloro-2-methylpropyl(dimethyl)amineEINECS 245-598-6RefChem:499808245-598-623349-86-23-chloro-N,N,2-trimethylpropan-1-amine(3-CHLORO-2-METHYLPROPYL)DIMETHYLAMINE1-Propanamine, 3-chloro-N,N,2-trimethyl-2-methyl-3-dimethylaminopropyl chlorideCitalopram Intermediate3-Chloro-2,N,N-trimethylpropan-1-amine1-Propanamine,3-chloro-N,N,2-trimethyl-

Show more names

SCHEMBL2842359NIOSH/UI0670200DTXSID00946015MFCD016949552-methyl-3-dimethylaminopropylchloride3-dimethylamino-2-methylpropylchlorideAKOS005215794AKOS022182623

Database identifiers

CAS: 23349-86-2
PubChem CID: 90906
DTXSID: DTXSID00946015
EC Number: 245-598-6
Nikkaji: J26.198J

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 54

Physicochemical properties

Boiling point: 35 · 35-36 °C(Press: 11 Torr)
Density: 0.925 · 0.925±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.19 · 9.19±0.28(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 6 of 6 reports by companies.；There are 0 notifications provided by 0 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.