Home >> Chemicals Listing >> hot product list by 4  

4-Aminomethyl-1-methylpyrazole (400877-05-6)

Identification
Name:4-Aminomethyl-1-methylpyrazole
Synonyms:C-(1-Methyl-1H-pyrazol-4-yl)methylamine;4-(Aminomethyl)-1-Methylpyrazole;[(1-Methyl-1H-pyrazol-4-yl)methyl]amine;
CAS:400877-05-6
Molecular Formula: C5H9N3
Molecular Weight: 111.15
InChI: InChI=1/C5H9N3/c1-8-4-5(2-6)3-7-8/h3-4H,2,6H2,1H3
Molecular Structure: (C5H9N3) C-(1-Methyl-1H-pyrazol-4-yl)methylamine;4-(Aminomethyl)-1-Methylpyrazole;[(1-Methyl-1H-pyrazol-4-yl)...
Properties
Flash Point: 87 ºC
Boiling Point: 220 ºC
Density:1.16
Refractive index:1.579
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

Flash Point: 87 ºC
Safety Data