-
Name
3-(CYCLOPROPYLAMINO)PROPIONITRILE
- EINECS
- CAS No. 58196-47-7
- Article Data6
- CAS DataBase
- Density 0.98g/cm3
- Solubility
- Melting Point
- Formula C6H10N2
- Boiling Point 235.8 °C at 760 mmHg
- Molecular Weight 110.159
- Flash Point 96.4 °C
- Transport Information
- Appearance
- Safety 23-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(Cyclopropylamino)propanenitrile;3-(Cyclopropylamino)propionitrile;N-(2-Cyanoethyl)-N-(cyclopropyl)amine;
- PSA 35.82000
- LogP 1.04298
Propanenitrile,3-(cyclopropylamino)- 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
Related Products
- Propanenitrile, 3-(trimethoxysilyl)-
- Propanenitrile, 3-[(3,5-dimethylphenyl)amino]-
- Propanenitrile, 3-[(3-amino-2-pyridinyl)amino]-
- Propanenitrile, 3-[(3-methoxyphenyl)amino]-
- Propanenitrile,3-(2-methoxyethoxy)-
- Propanenitrile,3-(butylamino)-
- Propanenitrile,3-(cyclohexylamino)-
- Propanenitrile,3-(cyclopentylamino)-
- Propanenitrile,3-(cyclopropylamino)-
- Propanenitrile,3-(dichloromethylsilyl)-
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