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321863-61-0

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Basic Information
CAS No.: 321863-61-0
Name: (alphaS)-alpha-Cyclopropylbenzenemethanamine
Article Data: 18
Molecular Structure:
Molecular Structure of 321863-61-0 ((alphaS)-alpha-Cyclopropylbenzenemethanamine)
Formula: C10H13N
Molecular Weight: 147.22
Synonyms: (alphaS)-alpha-Cyclopropylbenzenemethanamine
Density: 1.082 g/cm3
Boiling Point: 234.7 °C at 760 mmHg
Flash Point: 98.4 °C
PSA: 26.02000
LogP: 2.79670
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Specification

The [(S)-Cyclopropyl(phenyl)methyl]amine, with the CAS registry number 321863-61-0, has the systematic name of (S)-1-cyclopropyl-1-phenylmethanamine. It should be stored at dry and cool environment. And the molecular formula of the chemical is C10H13N.

The characteristics of [(S)-Cyclopropyl(phenyl)methyl]amine are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): -0.38; (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): 1.49; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 46.53 cm3; (15)Molar Volume: 135.9 cm3; (16)Polarizability: 18.44×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.082 g/cm3; (19)Flash Point: 98.4 °C; (20)Enthalpy of Vaporization: 47.15 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0521 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)[C@@H](N)C2CC2
(2)InChI: InChI=1/C10H13N/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t10-/m1/s1
(3)InChIKey: UCRSQPUGEDLYSH-SNVBAGLBBY