Propanenitrile,3-[(1-phenylethyl)amino]- supplier

Name
3-(1-PHENYLETHYLAMINO)PROPANENITRILE
EINECS
CAS No. 112971-19-4
Article Data6
CAS DataBase
Density 0.997 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂
Boiling Point 302.3 °C at 760 mmHg
Molecular Weight 174.246
Flash Point 136.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Propionitrile,3-(a-methylbenzylamino)- (6CI);3-(a-Methylbenzylamino)propionitrile;
PSA 35.82000
LogP 2.64178

Propanenitrile,3-[(1-phenylethyl)amino]- Specification

The CAS registry number of Propanenitrile,3-[(1-phenylethyl)amino]- is 112971-19-4. This chemical is also named as 3-[(1-Phenylethyl)amino]propanenitrile. In addition, its molecular formula is C₁₁H₁₄N₂ and molecular weight is 174.24. Its systematic name is called 3-[(1-phenylethyl)amino]propanenitrile. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Propanenitrile,3-[(1-phenylethyl)amino]- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.61; (6)ACD/KOC (pH 5.5): 2.63; (7)ACD/KOC (pH 7.4): 88.31; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 53.21 cm³; (13)Molar Volume: 174.7 cm³; (14)Surface Tension: 39.5 dyne/cm; (15)Density: 0.997 g/cm³; (16)Flash Point: 136.6 °C; (17)Enthalpy of Vaporization: 54.25 kJ/mol; (18)Boiling Point: 302.3 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(NCCC#N)c1ccccc1
(2)InChI: InChI=1/C11H14N2/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,9H2,1H3
(3)InChIKey: DNHYDVVIQFEOGM-UHFFFAOYAQ

Product Name

3-(1-PHENYLETHYLAMINO)PROPANENITRILE

Propanenitrile,3-[(1-phenylethyl)amino]- Specification

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