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2-(Methylamino)nicotinonitrile

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Name

2-(Methylamino)nicotinonitrile

EINECS N/A
CAS No. 52583-87-6 Density 1.13 g/cm3
PSA 48.71000 LogP 1.06798
Solubility N/A Melting Point 85-87 °C
Formula C7H7N3 Boiling Point 287.4 °C at 760 mmHg
Molecular Weight 133.153 Flash Point 127.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52583-87-6 (2-(METHYLAMINO)NICOTINONITRILE) Hazard Symbols Xi
Synonyms

2-(Methylamino)nicotinonitrile;2-(methylamino)pyridine-3-carbonitrile;3-Pyridinecarbonitrile, 2-(methylamino)-;

Article Data 10

2-(Methylamino)nicotinonitrile Specification

The 2-(Methylamino)nicotinonitrile, with the CAS registry number 52583-87-6, has the systematic name of 2-(methylamino)pyridine-3-carbonitrile. The molecular formula of the chemical is  C7H7N3. And it is a kind of irritant chemical, so you'd better be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 105; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.71 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.394 cm3; (15)Molar Volume: 116.901 cm3; (16)Polarizability: 14.824×10-24cm3; (17)Surface Tension: 52.791 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 127.613 °C; (20)Enthalpy of Vaporization: 52.657 kJ/mol; (21)Boiling Point: 287.397 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CNc1ncccc1C#N
(2)InChI: InChI=1/C7H7N3/c1-9-7-6(5-8)3-2-4-10-7/h2-4H,1H3,(H,9,10)
(3)InChIKey: AGZQPTBBDDQFKJ-UHFFFAOYAW

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