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| CAS No.: | 175696-70-5 |
|---|---|
| Name: | (3-Pyrrolidin-1-ylphenyl)methylamine |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| 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: |
 C
|
| 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