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Basic Information
CAS No.: 175696-70-5
Name: (3-Pyrrolidin-1-ylphenyl)methylamine
Molecular Structure:
Molecular Structure of 175696-70-5 ((3-Pyrrolidin-1-ylphenyl)methylamine)
Formula: C11H16N2
Molecular Weight: 176.261
Synonyms: 3-(Pyrrolidin-1-yl)benzylamine;3-(Pyrrolidin-1-yl)benzylamine 90%;1-(3-pyrrolidin-1-ylphenyl)methanamine;
Density: 1.075 g/cm3
Boiling Point: 328.1 °C at 760 mmHg
Flash Point: 132.6 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 29.26000
LogP: 2.51080
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Specification

The (3-Pyrrolidin-1-ylphenyl)methylamine, with the CAS registry number 175696-70-5, has the systematic name of 1-(3-pyrrolidin-1-ylphenyl)methanamine. It is a kind of corrosive chemical, and the molecular formula of the chemical is C11H16N2.

The characteristics of (3-Pyrrolidin-1-ylphenyl)methylamine are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 54.9 cm3; (9)Molar Volume: 163.9 cm3; (10)Polarizability: 21.76×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.075 g/cm3; (13)Flash Point: 132.6 °C; (14)Enthalpy of Vaporization: 57.04 kJ/mol; (15)Boiling Point: 328.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000194 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1CN)N2CCCC2
(2)InChI: InChI=1/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
(3)InChIKey: BXTWTBYGOKOWQX-UHFFFAOYAT