1H-Pyrazole-4-carbonitrile,3-amino-1-methyl- supplier

Name
1-METHYL-3-AMINO-4-CYANOPYRAZOLE
EINECS 1806241-263-5
CAS No. 21230-50-2
Article Data2
CAS DataBase
Density 1.321g/cm³
Solubility
Melting Point
Formula C₅H₆N₄
Boiling Point 342.376 °C at 760 mmHg
Molecular Weight 122.129
Flash Point 160.864 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carbonitrile,3-amino-1-methyl- (6CI,7CI,8CI);1-Methyl-3-amino-4-cyanopyrazole;3-Amino-1-methyl-1H-pyrazole-4-carbonitrile;3-Amino-4-cyano-1-methyl-1H-pyrazole;
PSA 67.63000
LogP 0.45518

1H-Pyrazole-4-carbonitrile,3-amino-1-methyl- Specification

The 1H-Pyrazole-4-carbonitrile,3-amino-1-methyl-, with CAS registry number 21230-50-2, has the systematic name of 3-amino-1-methyl-1H-pyrazole-4-carbonitrile. Besides this, it is also called 1-Methyl-3-amino-4-cyanopyrazole. And the chemical formula of this chemical is C₅H₆N₄.

Physical properties of 1H-Pyrazole-4-carbonitrile,3-amino-1-methyl-: (1)ACD/LogP: -0.20; (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): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.63 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 33.689 cm³; (15)Molar Volume: 92.45 cm³; (16)Polarizability: 13.355×10^-24cm³; (17)Surface Tension: 56.338 dyne/cm; (18)Density: 1.321 g/cm³; (19)Flash Point: 160.864 °C; (20)Enthalpy of Vaporization: 58.613 kJ/mol; (21)Boiling Point: 342.376 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(nn(c1)C)N
(2)InChI: InChI=1/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
(3)InChIKey: FBQOIRKIQMQJNS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
(5)Std. InChIKey: FBQOIRKIQMQJNS-UHFFFAOYSA-N

Product Name

1-METHYL-3-AMINO-4-CYANOPYRAZOLE

1H-Pyrazole-4-carbonitrile,3-amino-1-methyl- Specification

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