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Basic Information
CAS No.: 21627-58-7
Name: 2-PYRROLIDIN-1-YLANILINE 97
Article Data: 23
Molecular Structure:
Molecular Structure of 21627-58-7 (2-PYRROLIDIN-1-YLANILINE 97)
Formula: C10H14N2
Molecular Weight: 162.235
Synonyms: 2-Pyrrolidin-1-ylaniline 97%;
Density: 1.109 g/cm3
Boiling Point: 296.2 °C at 760 mmHg
Flash Point: 115.6 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 29.26000
LogP: 2.51520
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Specification

The Benzenamine,2-(1-pyrrolidinyl)-, with the CAS registry number of 21627-58-7, is also known as 2-Pyrrolidin-1-ylaniline 97%. This chemical's molecular formula is C10H14N2 and molecular weight is 162.2346. What's more, its IUPAC name is 2-Pyrrolidin-1-ylaniline.

Physical properties about the Benzenamine,2-(1-pyrrolidinyl)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 50.69 cm3; (9)Molar Volume: 146.2 cm3; (10)Surface Tension: 49.8 dyne/cm; (11)Density: 1.109 g/cm3; (12)Flash Point: 115.6 °C; (13)Enthalpy of Vaporization: 53.6 kJ/mol; (14)Boiling Point: 296.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1)N2CCCC2)N
(2) InChI: InChI=1/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
(3) InChIKey: BFPUBGCFJMIZDF-UHFFFAOYAW