The 2-Pyrrolidinemethanamine,1-(1-methylethyl)-, with the CAS registry number 26116-15-4, is also known as (1-Isopropyl-2-pyrrolidinyl)methylamine and 2-(Aminomethyl)-1-isopropylpyrrolidine. This chemical's molecular formula is C8H18N2 and molecular weight is 142.24. What's more, its systematic name is 1-[1-(1-Methylethyl)pyrrolidin-2-yl]methanamine.
Physical properties about 2-Pyrrolidinemethanamine,1-(1-methylethyl) are: (1)ACD/LogP: 0.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.44; (4)ACD/LogD (pH 7.4): -2.89; (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; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.475; (14) Molar Refractivity: 44.1 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 17.48×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.908 g/cm3; (19)Flash Point: 56.1 °C; (20)Enthalpy of Vaporization: 40.33 kJ/mol; (21)Boiling Point: 166.8 °C at 760 mmHg; (22)Vapour Pressure: 1.75 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NCC1N(C(C)C)CCC1
(2) InChI: InChI=1/C8H18N2/c1-7(2)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3
(3) InChIKey: GDRVIRMOAGAAGC-UHFFFAOYAL
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