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112738-68-8

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Basic Information
CAS No.: 112738-68-8
Name: Cyclopropanamine, 1-(trifluoromethyl)- (9CI)
Article Data: 1
Molecular Structure:
Molecular Structure of 112738-68-8 (Cyclopropanamine, 1-(trifluoromethyl)- (9CI))
Formula: C4H6F3N
Molecular Weight: 125.094
Synonyms: 1-(Trifluoromethyl)cyclopropylamine;
Density: 1.355 g/cm3
Boiling Point: 48.554 °C at 760 mmHg
Flash Point: -6.494 °C
PSA: 26.02000
LogP: 1.74030
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Specification

The CAS registry number of Cyclopropanamine,1-(trifluoromethyl)- is 112738-68-8. It belongs to the product category of Amineprimary. This chemical's molecular formula is C4H6F3N and molecular weight is 125.0923. What's more, its systematic name is 1-(Trifluoromethyl)cyclopropylamine.

Physical properties about Cyclopropanamine,1-(trifluoromethyl)- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 22.081 cm3; (15)Molar Volume: 92.311 cm3; (16)Polarizability: 8.754×10-24 cm3; (17)Surface Tension: 26.925 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: -6.494 °C; (20)Enthalpy of Vaporization: 29.218 kJ/mol; (21)Boiling Point: 48.554 °C at 760 mmHg; (22)Vapour Pressure: 308.716 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C1(N)CC1
(2) InChI: InChI=1/C4H6F3N/c5-4(6,7)3(8)1-2-3/h1-2,8H2
(3) InChIKey: FBWOFVFUKXZXKT-UHFFFAOYAE