N-(3-Chloropropyl)dibutylamine (HCID 96084)

Names & identifiers

Preferred name: N-(3-Chloropropyl)dibutylamine
IUPAC: N-butyl-N-(3-chloropropyl)butan-1-amine
English name: N-(3-chloropropyl)dibutylamine
Molecular formula: C11H24ClN
Molecular weight: 205.77

Names & synonyms

N-(3-Chloropropyl)dibutylamineEINECS 253-027-7DTXSID40189949NSC 511332-(n-butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuranRefChem:826496DTXCID50112440253-027-736421-15-5n-butyl-n-(3-chloropropyl)butan-1-amineMFCD131859661-Dibutylamino-3-chloropropane

Show more names

N-(3-ChLDronedarone Intermediate 2Dronedarone Intermediate 4Dronedarone hydrochloride SM2

(3-Chloropropyl)dibutylamine5ZLC4BY7K51-chloro-3-dibutylaminopropaneNSC-51133dibutyl(3-chloropropyl)amine1-Butanamine, N-butyl-N-(3-chloropropyl)-N-Butyl-N-(3-chloropropyl)-1-butanamineNSC51133

Database identifiers

CAS: 36421-15-5
PubChem CID: 96084
DTXSID: DTXSID40189949
UNII: 5ZLC4BY7K5
EC Number: 253-027-7
Nikkaji: J332.289K

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 88

Physicochemical properties

Boiling point: 118 · 118-130 °C(Press: 25 Torr)
Density: 0.899 · 0.899±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.39 · 9.39±0.50(Predicted)
form: liquid
color: Pale yellow
InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
SMILES: C(N(CCCC)CCCCl)CCC
FDA UNII: 5 ZLC4BY7K5 · 5ZLC4BY7K5
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 315 · H315-H319-H372-H317-H334-H350
Precautionary statements: 501 · P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405
HS Code: 2921199990 · 2921199990

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H371 (20%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (60%)；Eye Irrit. 2 (60%)；STOT SE 3 (20%)；STOT SE 2 (20%)

Safety data

hs_code: 2921199990
Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H315-H319-H372-H317-H334-H350
Precautionary statements: P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405

Chemistry & industry

Applications

UsesN-Butyl-N-(3-chloropropyl)butan-1-amine acts as a reagent in the process for the production of dronedarone hydrochloride, an antiarrhythmia drug. Impurity of Butoprozine which is an antiarrhythmic drug.