CAS No.10603-53-9,PYRROLIDINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10603-53-9
Name:	PYRROLIDINE-3-CARBONITRILE
Article Data:	4

Formula:	C₅H₈N₂
Molecular Weight:	96.1319
Synonyms:	3-Cyanopyrrolidine;
Density:	1.01g/cm³
Boiling Point:	208.93 °C at 760 mmHg
Flash Point:	80.158 °C
Risk Codes:	41
Safety:	26-39
PSA:	35.82000
LogP:	0.44828

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Specification

The 3-Pyrrolidinecarbonitrile, with CAS registry number 10603-53-9, belongs to the following product category: Pharmacetical. It has the systematic name of pyrrolidine-3-carbonitrile. Besides this, it is also called 3-Cyanopyrrolidine. And the chemical formula of this chemical is C₅H₈N₂.

Physical properties of 3-Pyrrolidinecarbonitrile: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.82 Å²; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 26.719 cm³; (13)Molar Volume: 94.597 cm³; (14)Polarizability: 10.592×10^-24cm³; (15)Surface Tension: 38.874 dyne/cm; (16)Density: 1.016 g/cm³; (17)Flash Point: 80.158 °C; (18)Enthalpy of Vaporization: 44.52 kJ/mol; (19)Boiling Point: 208.93 °C at 760 mmHg; (20)Vapour Pressure: 0.208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC1CCNC1
(2)InChI: InChI=1/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2
(3)InChIKey: DATJETPTDKFEEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2
(5)Std. InChIKey: DATJETPTDKFEEF-UHFFFAOYSA-N