(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine supplier

Name
(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanaMine
EINECS
CAS No. 1345413-20-8
Article Data2
CAS DataBase
Density 1.3±0.1 g/cm³
Solubility
Melting Point
Formula C₉H₉F₂N
Boiling Point 212.5±40.0 °C at 760 mmHg
Molecular Weight 169.174
Flash Point 99.0±14.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1S,2R)-2-(3,4-Difluorophenyl)cyclopropanamine;(1S,2R)-2-(3,4-difluorophenyl) cyclopropanamine;(1S,2R)-2-(3,4-DIFLUOROPHENYL)-CYCLOPROPANAMINE;
PSA 26.02000
LogP 2.47970

(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine 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

Product Name

(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanaMine

(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine Specification

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