The (3R)-1-(2-Aminoethyl)-3-pyrrolidinol, with the CAS registry number 672325-36-9, is also known as 3-Pyrrolidinol, 1-(2-aminoethyl)-, (3R)-. It belongs to the product categories of Pyrrolidine; Aminetertiary; Pharmacetical. This chemical's molecular formula is C6H14N2O and formula weight is 130.19. What's more, its IUPAC name is (3R)-1-(2-aminoethyl)pyrrolidin-3-ol.
Physical properties of (3R)-1-(2-Aminoethyl)-3-pyrrolidinol are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 49.49 Å2; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 36.466 cm3; (11)Molar Volume: 118.015 cm3; (12)Surface Tension: 48.686 dyne/cm; (13)Density: 1.103 g/cm3; (14)Flash Point: 102.146 °C; (15)Enthalpy of Vaporization: 56.051 kJ/mol; (16)Boiling Point: 245.286 °C at 760 mmHg; (17)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC1O)CCN
(2)Isomeric SMILES: C1CN(C[C@@H]1O)CCN
(3)InChI: InChI=1S/C6H14N2O/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5,7H2/t6-/m1/s1
(4)InChIKey: ZNLCTCNYKCENHP-ZCFIWIBFSA-N
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