CAS No.31506-43-1,Urea, 3-(dimethylamino)propyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31506-43-1
Name:	Urea, 3-(dimethylamino)propyl-
Article Data:	3

Formula:	C₆H₁₅N₃O
Molecular Weight:	145.205
Synonyms:	Urea,[3-(dimethylamino)propyl]- (6CI,8CI,9CI);Dabco NE 1070;[3-(Dimethylamino)propyl]urea;1-[3-(dimethylamino)propyl]urea;3-(dimethylamino)propylurea;N-[3-(dimethylamino)propyl]urea;urea, N-[3-(dimethylamino)propyl]-;
EINECS:	401-950-2
Density:	1.005 g/cm³
Boiling Point:	224.4 °C at 760 mmHg
Flash Point:	89.5 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	59.35000
LogP:	0.51110

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Specification

The Urea,N-[3-(dimethylamino)propyl]-, with the CAS registry number 31506-43-1, has the systematic name of 1-[3-(dimethylamino)propyl]urea. It is also called 3-(dimethylamino)propylurea. And the molecular formula of the chemical is C₆H₁₅N₃O.

The characteristics of Urea,N-[3-(dimethylamino)propyl]- are as followings: (1)ACD/LogP: -0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.85; (4)ACD/LogD (pH 7.4): -2.62; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 40.72 cm³; (15)Molar Volume: 144.4 cm³; (16)Polarizability: 16.14×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.005 g/cm³; (19)Flash Point: 89.5 °C; (20)Enthalpy of Vaporization: 46.09 kJ/mol; (21)Boiling Point: 224.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0914 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)NCCCN(C)C
(2)InChI: InChI=1/C6H15N3O/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)
(3)InChIKey: IIVBUJGYWCCLNG-UHFFFAOYAG