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58196-47-7

Basic Information
CAS No.: 58196-47-7
Name: 3-(CYCLOPROPYLAMINO)PROPIONITRILE
Article Data: 6
Molecular Structure:
Molecular Structure of 58196-47-7 (3-(CYCLOPROPYLAMINO)PROPIONITRILE)
Formula: C6H10N2
Molecular Weight: 110.159
Synonyms: 3-(Cyclopropylamino)propanenitrile;3-(Cyclopropylamino)propionitrile;N-(2-Cyanoethyl)-N-(cyclopropyl)amine;
Density: 0.98g/cm3
Boiling Point: 235.8 °C at 760 mmHg
Flash Point: 96.4 °C
Safety: 23-24/25
PSA: 35.82000
LogP: 1.04298
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Specification

The CAS registry number of Propanenitrile,3-(cyclopropylamino)- is 58196-47-7. It belongs to the product categories of Cyanides/Nitriles; Nitrogen Compounds. This chemical is also named as 3-(3-Cyclopropylamino)propionitrile. In addition, its molecular formula is C6H10N2 and molecular weight is 110.16. Its systematic name and IUPAC name are the same which is called 3-(cyclopropylamino)propanenitrile.

Physical properties about Propanenitrile,3-(cyclopropylamino)- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.9; (4)ACD/LogD (pH 7.4): -0.56; (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): 10.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 31.35 cm3; (14)Molar Volume: 111.2 cm3; (15)Surface Tension: 37.9 dyne/cm; (16)Density: 0.98 g/cm3; (17)Flash Point: 96.4 °C; (18)Enthalpy of Vaporization: 47.26 kJ/mol; (19)Boiling Point: 235.8 °C at 760 mmHg; (20)Vapour Pressure: 0.049 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNC1CC1
(2)InChI: InChI=1/C6H10N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-3,5H2
(3)InChIKey: OZHWHTICSNFGBZ-UHFFFAOYAL