CAS No.1345413-20-8,(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanaMine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1345413-20-8
Name:	(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanaMine
Article Data:	2

Formula:	C₉H₉F₂N
Molecular Weight:	169.174
Synonyms:	(1S,2R)-2-(3,4-Difluorophenyl)cyclopropanamine;(1S,2R)-2-(3,4-difluorophenyl) cyclopropanamine;(1S,2R)-2-(3,4-DIFLUOROPHENYL)-CYCLOPROPANAMINE;
Density:	1.3±0.1 g/cm³
Boiling Point:	212.5±40.0 °C at 760 mmHg
Flash Point:	99.0±14.4 °C
PSA:	26.02000
LogP:	2.47970

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Specification

The (1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine, with the CAS registry number 1345413-20-8, is also known as 4-Trifluoromethyl-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene. This chemical's molecular formula is C₉H₉F₂N and molecular weight is 169.17. What's more, its systematic name is (1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine.

Physical properties of (1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine are: (1)ACD/LogP: 1.27±0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 20.55; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 41.8±0.3 cm³; (15)Molar Volume: 133.4±3.0 cm³; (16)Polarizability: 16.6±0.5×10^-24cm³; (17)Surface Tension: 41.0±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm³; (19)Flash Point: 99.0±14.4 °C; (20)Enthalpy of Vaporization: 44.9±3.0 kJ/mol; (21)Boiling Point: 212.5±40.0 °C at 760 mmHg; (22)Vapour Pressure: 0.2±0.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@@H]([C@H]1N)C2=CC(=C(C=C2)F)F
(2)Std. InChI: InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m1/s1
(3)Std. InChIKey: QVUBIQNXHRPJKK-MUWHJKNJSA-N