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3158-73-4

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Basic Information
CAS No.: 3158-73-4
Name: 2-cyclopropylaniline
Article Data: 11
Molecular Structure:
Molecular Structure of 3158-73-4 (2-cyclopropylaniline)
Formula: C9H11N
Molecular Weight: 133.193
Synonyms: Aniline,o-cyclopropyl- (7CI,8CI);(o-Aminophenyl)cyclopropane;1-Cyclopropyl-2-aminobenzene;2-Aminocyclopropylbenzene;2-Cyclopropylaniline;o-Cyclopropylaniline;
EINECS: 221-600-0
Density: 1.112 g/cm3
Boiling Point: 221.8 °C at 760 mmHg
Flash Point: 94.5 °C
PSA: 26.02000
LogP: 2.72740
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Specification

The Benzenamine, 2-cyclopropyl-, with the CAS registry number 3158-73-4, is also known as 2-Cyclopropylbenzenamine. Its EINECS registry number is 221-600-0. This chemical's molecular formula is C9H11N and molecular weight is 133.1903. What's more, its IUPAC name is 2-Cyclopropylaniline.

Physical properties about Benzenamine, 2-cyclopropyl- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 18.28; (6)ACD/BCF (pH 7.4): 19.08; (7)ACD/KOC (pH 5.5): 275.21; (8)ACD/KOC (pH 7.4): 287.22; (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: 1.628; (14)Molar Refractivity: 42.51 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 16.85×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 94.5 °C; (20)Enthalpy of Vaporization: 45.83 kJ/mol; (21)Boiling Point: 221.8 °C at 760 mmHg; (22)Vapour Pressure: 0.105 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc(c1C2CC2)N
(2) InChI: InChI=1/C9H11N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6,10H2
(3) InChIKey: JSKOLQWFMXYJAF-UHFFFAOYAB