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111954-72-4

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Basic Information
CAS No.: 111954-72-4
Name: (R)-2-AMINO-5-(3-PYRIDYL)PENTANE
Article Data: 6
Molecular Structure:
Molecular Structure of 111954-72-4 ((R)-2-AMINO-5-(3-PYRIDYL)PENTANE)
Formula: C10H16N2
Molecular Weight: 164.2474
Synonyms: (2R)-5-Pyridin-3-ylpentan-2-amine;
Density: 0.972 g/cm3
Boiling Point: 284.307 °C at 760 mmHg
Flash Point: 146.383 °C
PSA: 38.91000
LogP: 2.45180
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Specification

The CAS registry number of 3-Pyridinebutanamine, a-methyl-, (R)- (9CI) is 111954-72-4. This chemical's molecular formula is C10H16N2 and molecular weight is 164.2474. What's more, its systematic name is called (2R)-5-Pyridin-3-ylpentan-2-amine.

Physical properties about 3-Pyridinebutanamine, a-methyl-, (R)- (9CI) are: (1)ACD/LogP: 1.45; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 5; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 51.286 cm3; (15)Molar Volume: 169.049 cm3; (16)Polarizability: 20.331×10-24 cm3; (17)Surface Tension: 39.496 dyne/cm; (18)Density: 0.972 g/cm3; (19)Flash Point: 146.383 °C; (20)Enthalpy of Vaporization: 52.328 kJ/mol; (21)Boiling Point: 284.307 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@@H](N)CCCc1cccnc1
(2) InChI: InChI=1/C10H16N2/c1-9(11)4-2-5-10-6-3-7-12-8-10/h3,6-9H,2,4-5,11H2,1H3/t9-/m1/s1
(3) InChIKey: FVWVJTJAALVOQO-SECBINFHBM