4-Aminomethyl-1-methylpyrazole supplier

Name
4-Aminomethyl-1-methylpyrazole
EINECS
CAS No. 400877-05-6
Article Data2
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₅H₉N₃
Boiling Point 219.8 °C at 760 mmHg
Molecular Weight 111.147
Flash Point 86.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms C-(1-Methyl-1H-pyrazol-4-yl)methylamine;[(1-Methyl-1H-pyrazol-4-yl)methyl]amine;
PSA 43.84000
LogP 0.57910

4-Aminomethyl-1-methylpyrazole Specification

The 4-Aminomethyl-1-methylpyrazole with the CAS number 400877-05-6 is also called C-(1-Methyl-1H-pyrazol-4-yl)methylamine. The IUPAC name is (1-methylpyrazol-4-yl)methanamine. Its molecular formula is C₅H₉N₃. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 21.06 Å²; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 31.77 cm³; (12)Molar Volume: 95.5 cm³; (13)Polarizability: 12.59×10^-24cm³; (14)Surface Tension: 44 dyne/cm; (15)Enthalpy of Vaporization: 45.62 kJ/mol; (16)Vapour Pressure: 0.117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(cn1C)CN
(2)InChI: InChI=1/C5H9N3/c1-8-4-5(2-6)3-7-8/h3-4H,2,6H2,1H3
(3)InChIKey: KFTRXTSNTQSGNE-UHFFFAOYAD

Product Name

4-Aminomethyl-1-methylpyrazole

4-Aminomethyl-1-methylpyrazole Specification

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