3-Chloropropyl(diethyl)amine

HCID 66918

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Basic information

CAS: 104-77-8
Standard SMILES: CCN(CC)CCCCl
InChIKey: WVUULNDRFBHTFG-UHFFFAOYSA-N
Molecular formula: C7H16ClN
Average molar mass: 149.66 g/mol
Monoisotopic mass: 149.0971272

Names & identifiers

Preferred name: 3-Chloropropyl(diethyl)amine
IUPAC: 3-chloro-N,N-diethylpropan-1-amine
English name: 3-DIETHYLAMINOPROPYL CHLORIDE
Molecular formula: C7H16ClN
Molecular weight: 149.66

Names & synonyms

104-77-83-Chloropropyl(diethyl)amineN-(3-Chloropropyl)diethylamine1-Propanamine, 3-chloro-N,N-diethyl-3-Chloro-N,N-diethyl-1-propanamineEINECS 203-235-9DTXSID30146208RefChem:500524DTXCID1068699203-235-93-chloro-N,N-diethylpropan-1-amine3-DIETHYLAMINOPROPYL CHLORIDE

Show more names

3-chloro-N,N-diethyl-propan-13-CHLORO-1-DIETHYLAMINOPROPANE1-Chloro-3-diethylaminopropane3-Chloro-N,N-diethylpropanamine

(3-chloropropyl)diethylamineMFCD00039385diethylaminopropyl chloride3-chloro-N,N-diethyl-propan-1-amine3-diethylaminopropylchloride3-chloropropyldiethylaminediethylamino propylchloridediethyl(3-chloropropyl)amine

Database identifiers

CAS: 104-77-8
PubChem CID: 66918
DTXSID: DTXSID30146208
EC Number: 203-235-9
Nikkaji: J182.186E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 52

Physicochemical properties

Boiling point: 169 · 169-171℃
Density: 0.919 · 0.919±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.4541 · 1.4541 (589.3 nm 20℃)
Flash point: 56.9 · 56.9±22.6℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 10.1 · 10.10±0.25(Predicted)
color: Clear Pale Yellow
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H301-H315-H319
Precautionary statements: 210 · P210-P301+P310-P270
HS Code: 2921199990 · 2921199990

Safety & regulation

Safety data

hs_code: 2921199990
Signal word: Danger
Symbol(GHS): GHS02,GHS06
Hazard statements: H226-H301-H315-H319
Precautionary statements: P210-P301+P310-P270

Chemistry & industry

Applications · 1 item

Uses3-Chloro-N,N-diethylpropan-1-amine is used in the synthesis of propanamine antidepressants with similar efficacy to imipramine. Also used in the synthesis of inhibitors of fibroblast growth and endothelial growth based on substituted morpholines.