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Name	N-(3-Chloropropyl)dibutylamine	EINECS	253-027-7
CAS No.	36421-15-5	Density	0.899 g/cm³
PSA	3.24000	LogP	3.51750
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₂₄ClN	Boiling Point	253.2 °C at 760 mmHg
Molecular Weight	205.771	Flash Point	106.9 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(3-Chloropropyl)dibutylamine;1-Chloro-3-dibutylaminopropane;1-Dibutylamino-3-chloropropane;3-(Dibutylamino)propyl chloride;3-(N,N-Dibutylamino)-1-chloropropane;3-Chloro-N,N-dibutyl-1-propanamine;3-Dibutylamino-1-chloropropane;NSC 51133;	Article Data	14

N-(3-Chloropropyl)dibutylamine Synthetic route

: 1-chloro-3-(di-n-butylamino)-propane hydrochloride

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With ammonia In water at 20 - 24℃; for 1.41667h; pH=11;	99.4%
With ammonia In water at 18 - 24℃; for 0.75h;	99.4%
With ammonia In water at 20℃; for 0.25h;	9.99 g
With ammonium hydroxide In water at 20 - 25℃; for 0.25h;

: 2050-51-3
3-dibutylaminopropanol

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With thionyl chloride In chloroform for 7h; Reflux;	94%
With thionyl chloride In chloroform at 20℃; for 1h; Reflux; Inert atmosphere;	89%
With thionyl chloride; chloroform
With thionyl chloride; benzene
With hydrogenchloride; thionyl chloride In chloroform

: 111-92-2
dibutylamine

: 627-30-5
1-chloro-3-hydroxypropane

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With thionyl chloride In chloroform; water; dimethyl sulfoxide	58%

: 111-92-2
dibutylamine

: 109-70-6
1,3-chlorobromopropane

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
With benzene

: 111-92-2
dibutylamine

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium tetrafluoroborate / acetonitrile / 4 h / 20 °C / Inert atmosphere 2: thionyl chloride / chloroform / 1 h / 20 °C / Reflux; Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: methanol / 8 h / 20 °C 2: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / 20 °C 3: thionyl chloride / chloroform / 7 h / Reflux View Scheme

: 20120-23-4
3-dibutylaminopropionic acid ethyl ester

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / 20 °C 2: thionyl chloride / chloroform / 7 h / Reflux View Scheme

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 99-76-3
methyl 4-hydroxylbenzoate

: 4-[3-(dibutylamino)propoxy]benzoic acid

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 25 - 100℃; for 1.16667h;	99.7%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 99-76-3
methyl 4-hydroxylbenzoate

: methyl 4-[3-(dibutylamino)propoxyl]benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 98 - 102℃; for 1h;	99.7%

: 141645-16-1
2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 141645-23-0
(2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone

Conditions

Conditions	Yield
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In toluene at 25 - 110℃; for 0.5h; Large scale; Stage #2: dibutyl-(3-chloro-propyl)-amine In toluene Temperature; Solvent; Reflux; Large scale;	99.5%
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In acetonitrile for 0.5h; Stage #2: dibutyl-(3-chloro-propyl)-amine In acetonitrile Reflux;	91%
Stage #1: 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran With potassium carbonate In acetonitrile for 0.5h; Reflux; Stage #2: dibutyl-(3-chloro-propyl)-amine In acetonitrile Reflux;	91%

: 36421-15-5
dibutyl-(3-chloro-propyl)-amine

: 77833-28-4
(1-Bromo-2-ethyl-indolizin-3-yl)-(3,5-dichloro-4-hydroxy-phenyl)-methanone

: 79283-47-9
(1-Bromo-2-ethyl-indolizin-3-yl)-[3,5-dichloro-4-(3-dibutylamino-propoxy)-phenyl]-methanone; compound with oxalic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone for 20h; Heating;	95.1%

N-(3-Chloropropyl)dibutylamine Specification

The CAS register number of N-(3-Chloropropyl)dibutylamine is 36421-15-5. It also can be called as 1-butanamine, N-butyl-N-(3-chloropropyl)- and the systematic name about this chemical is N-butyl-N-(3-chloropropyl)butan-1-amine. The molecular formula about this chemical is C₁₁H₂₄ClN and the molecular weight is 205.77. It belongs to the API.

Physical properties about N-(3-Chloropropyl)dibutylamine are: (1)ACD/LogP: 4.24; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 10.59; (6)ACD/KOC (pH 5.5): 4.44; (7)ACD/KOC (pH 7.4): 52.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 3.24Å²; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 61.58 cm³; (13)Molar Volume: 228.7 cm³; (14)Polarizability: 24.41x10^-24cm³; (15)Surface Tension: 29.6 dyne/cm; (16)Enthalpy of Vaporization: 49.06 kJ/mol; (17)Boiling Point: 253.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0185 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCN(CCCC)CCCC
(2)InChI: InChI=1/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
(3)InChIKey: ANLMKUQEPXRMGV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
(5)Std. InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N

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