1H-Pyrazole-5-methanamine, N-methyl- supplier

Name
METHYL-(2H-PYRAZOL-3-YLMETHYL)-AMINE
EINECS
CAS No. 676491-02-4
Article Data3
CAS DataBase
Density 1.083 g/cm³
Solubility
Melting Point
Formula C₅H₉N₃
Boiling Point 243.642 °C at 760 mmHg
Molecular Weight 111.147
Flash Point 101.151 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Pyrazole-3-methanamine, N-methyl-;N-Methyl-1-(1H-pyrazol-5-yl)methanamine;Methyl(1H-pyrazol-3-ylmethyl)amine;
PSA 40.71000
LogP 0.52000

1H-Pyrazole-5-methanamine, N-methyl- Specification

The 1H-Pyrazole-5-methanamine, N-methyl-, with the CAS registry number 676491-02-4, is also known as Methyl(1H-pyrazol-3-ylmethyl)amine. This chemical's molecular formula is C₅H₉N₃ and molecular weight is 111.15. What's more, its systematic name is N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Physical properties of 1H-Pyrazole-5-methanamine, N-methyl- are: (1)ACD/LogP: -0.03; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.71 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 31.921 cm³; (13)Molar Volume: 102.613 cm³; (14)Polarizability: 12.655×10^-24cm³; (15)Surface Tension: 44.873 dyne/cm; (16)Density: 1.083 g/cm³; (17)Flash Point: 101.151 °C; (18)Enthalpy of Vaporization: 48.067 kJ/mol; (19)Boiling Point: 243.642 °C at 760 mmHg; (20)Vapour Pressure: 0.032 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCC1=CC=NN1
(2)InChI: InChI=1S/C5H9N3/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3,(H,7,8)
(3)InChIKey: FAFFFBUYETUJAQ-UHFFFAOYSA-N

Product Name

METHYL-(2H-PYRAZOL-3-YLMETHYL)-AMINE

1H-Pyrazole-5-methanamine, N-methyl- Specification

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