3-Chloro-N,N-diethyl-1-propanamine

C7H16ClNCAS 104-77-8149.66 g/mol

Open in Covalent MOL file
NCl
Alkyl halideTertiary amine

Properties

Molecular formula
C7H16ClN
Molar mass
149.66 g/mol
Exact mass
149.0971 Da
Density
0.98 g/mL (at 20 °C)
Boiling point
82 °C
logP
1.96Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
104-77-8
SMILES
CCN(CC)CCCCl
InChIKey
WVUULNDRFBHTFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

16 names · show all
  • 1-Propanamine, 3-chloro-N,N-diethyl-
  • Propylamine, 3-chloro-N,N-diethyl-
  • 3-Chloro-N,N-diethylpropanamine
  • 3-Chloro-N,N-diethylpropylamine
  • 3-(Diethylamino)propyl chloride
  • 3-(N,N-Diethylamino)propyl chloride
  • 1-Chloro-3-diethylaminopropane
  • 3-Diethylamino-1-chloropropane
  • N-(3-Chloropropyl)diethylamine
  • Diethylaminopropyl chloride
  • 1-Diethylamino-3-chloropropane
  • Diethyl(3-chloropropyl)amine
  • (3-Chloropropyl)diethylamine
  • 3-Chloro-N,N-diethyl-N-propylamine
  • 3-(N,N-Diethylamino)-1-chloropropane
  • 3-Chloropropyl(diethyl)amine

Work with 3-Chloro-N,N-diethyl-1-propanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethylaminoethyl chloride100-35-670 % similar 1-Chloro-2-(diethylamine)ethane hydrochloride869-24-961 % similar 1-Ethylpyrrolidine7335-06-055 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-653 % similar N-Ethylpiperidine766-09-652 % similar 1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-052 % similar 1-(3-Chloropropyl)-4-methylpiperazine104-16-552 % similar N,N-Diethyl-1,3-propanediamine104-78-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mepiquat chloride24307-26-4 trans-4-Methylcyclohexylamine hydrochloride33483-65-7

Elsewhere

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