CAS No.4128-37-4,1,3-Diisopropylurea Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4128-37-4
Name:	1,3-Diisopropylurea
Article Data:	81

Formula:	C₇H₁₆N₂O
Molecular Weight:	144.217
Synonyms:	N,N-Diisopropylurea;Urea, N,N-bis(1-methylethyl)-;1, 3-Diisopropylurea;Urea, 1,3-diisopropyl- (8CI);Urea, 1,3-diisopropyl-;Diptocarpamidine;1,3-dipropan-2-ylurea;Urea, N, N-bis (1-methylethyl)-;Urea,N,N'-bis(1-methylethyl)-;
EINECS:	223-940-5
Density:	0.903g/cm³
Melting Point:	185-190℃
Boiling Point:	265.4 °C at 760 mmHg
Flash Point:	113.3 °C
PSA:	41.13000
LogP:	1.88420

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Specification

The 1,3-Diisopropylurea, with CAS registry number 4128-37-4, has the systematic name of 1,3-dipropan-2-ylurea. Besides this, it is also called N,N'-Bis(1-methylethyl)urea. And the chemical formula of this chemical is C₇H₁₆N₂O. What's more, its EINECS is 223-940-5.

Physical properties of 1,3-Diisopropylurea: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.16; (6)ACD/BCF (pH 7.4): 2.16; (7)ACD/KOC (pH 5.5): 60.35; (8)ACD/KOC (pH 7.4): 60.35; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 41.61 cm³; (15)Molar Volume: 159.5 cm³; (16)Polarizability: 16.49×10^-24cm³; (17)Surface Tension: 27.7 dyne/cm; (18)Density: 0.903 g/cm³; (19)Flash Point: 113.3 °C; (20)Enthalpy of Vaporization: 50.33 kJ/mol; (21)Boiling Point: 265.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0092 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)C)NC(C)C
(2)InChI: InChI=1/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
(3)InChIKey: BGRWYRAHAFMIBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
(5)Std. InChIKey: BGRWYRAHAFMIBJ-UHFFFAOYSA-N