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75405-06-0

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Basic Information
CAS No.: 75405-06-0
Name: 3-AMINOPENTANENITRILE
Article Data: 3
Molecular Structure:
Molecular Structure of 75405-06-0 (3-AMINOPENTANENITRILE)
Formula: C5H10N2
Molecular Weight: 98.1478
Synonyms: (RS)-3-Aminopentanenitrile;3-Aminopentanenitrile;
Density: 0.904 g/cm3
Boiling Point: 202.7 °C at 760 mmHg
Flash Point: 76.4 °C
PSA: 49.81000
LogP: 1.33768
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Specification

The Pentanenitrile,3-amino- has the CAS registry number 75405-06-0. This chemical's molecular formula is C5H10N2 and molecular weight is 98.15. What's more, its systematic name is 3-Aminopentanenitrile and its classification codes are TSCA Flag E; TSCA Flag P; TSCA Flag S. 

Physical properties of Pentanenitrile,3-amino- are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -0.37; (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): 11.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 28.62 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 11.34×10-24 cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.904 g/cm3; (19)Flash Point: 76.4 °C; (20)Enthalpy of Vaporization: 43.9 kJ/mol; (21)Boiling Point: 202.7 °C at 760 mmHg; (22)Vapour Pressure: 0.288 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(N)CC
(2)InChI: InChI=1/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3
(3)InChIKey: FVPPLRDSFQDFLX-UHFFFAOYSA-N