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54-97-7

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Basic Information
CAS No.: 54-97-7
Name: 2-Phenylcyclopropane-1-amine
Article Data: 31
Molecular Structure:
Molecular Structure of 54-97-7 (2-Phenylcyclopropane-1-amine)
Formula: C9H11N
Molecular Weight: 133.193
Synonyms: 2-Phenylcyclopropanamine;
Density: 1.065 g/cm3
Boiling Point: 218.3 °C at 760 mmHg
Flash Point: 90.8 °C
PSA: 26.02000
LogP: 2.20150
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Specification

The CAS registry number of Cyclopropanamine, 2-phenyl- is 54-97-7.This chemical's molecular formula is C9H11N and molecular weight is 133.1903. What's more, its systematic name is 2-Phenylcyclopropanamine.

Physical properties about Cyclopropanamine, 2-phenyl- are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -0.13; (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): 4.71; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 41.83 cm3; (15)Molar Volume: 124.9 cm3; (16)Polarizability: 16.58×10-24 cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.065 g/cm3; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 45.47 kJ/mol; (21)Boiling Point: 218.3 °C at 760 mmHg; (22)Vapour Pressure: 0.127 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc(c1)C2CC2N
(2) InChI: InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
(3) InChIKey: AELCINSCMGFISI-UHFFFAOYAA