CAS No.27431-62-5,4-(DIETHYLAMINO)BUTYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27431-62-5
Name:	4-(DIETHYLAMINO)BUTYLAMINE
Article Data:	29

Formula:	C₈H₂₀N₂
Molecular Weight:	144.26
Synonyms:	1,4-Butanediamine,N,N-diethyl- (6CI,7CI,8CI,9CI);4-(Diethylamino)butylamine;4-(N,N-Diethylamino)butylamine;N,N-Diethyl-1,4-butanediamine;N,N-Diethyl-1,4-diaminobutane;N,N-Diethyltetramethylenediamine;N,N-diethylbutane-1,4-diamine;1,4-Butanediamine, N1,N1-diethyl-;4-Diethylaminobutylamine;N,N-Diethylbutane-1,4-diamine;
EINECS:	248-456-1
Density:	0.841 g/cm₃
Melting Point:	156-158 °C
Boiling Point:	193.4 °C at 760 mmHg
Flash Point:	70.8 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39
Transport Information:	UN 2735
PSA:	29.26000
LogP:	1.76740

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Specification

The 1,4-Butanediamine,N1,N1-diethyl-, with the CAS registry number 27431-62-5 and EINECS registry number 248-456-1, has the systematic name of N,N-diethylbutane-1,4-diamine. And the molecular formula of the chemical is C₈H₂₀N₂. What's more, it is always used to regulate polyamine biosynthesis & inhibits L1210 leukemia cell growth.

The characteristics of 1,4-Butanediamine,N1,N1-diethyl- are as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.03; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 46.36 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 18.38×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.841 g/cm³; (19)Flash Point: 70.8 °C; (20)Enthalpy of Vaporization: 42.96 kJ/mol; (21)Boiling Point: 193.4 °C at 760 mmHg; (22)Vapour Pressure: 0.466 mmHg at 25°C.

Uses of 1,4-Butanediamine,N1,N1-diethyl-: It can react with acrylonitrile to produce N,N'-diethyl-N,N'-bis(b-cyanoethyl)-1,4-butanediamine. The reaction time is 48 hours with ambient temperature, and the yield is about 95%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCCCN(CC)CC
(2)InChI: InChI=1/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
(3)InChIKey: JILXUIANNUALRZ-UHFFFAOYAT