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Name |
1,5-Dimethyl-(1H)-pyrazole-4-methanamine |
EINECS | N/A |
CAS No. | 400756-31-2 | Density | 1.12 g/cm3 |
PSA | 43.84000 | LogP | 0.88750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H11N3 | Boiling Point | 233.2 °C at 760 mmHg |
Molecular Weight | 125.173 | Flash Point | 94.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1,5-dimethyl-1H-pyrazol-4-yl)methanaminehydrochloride;1-(1,5-dimethyl-1H-pyrazol-4-yl)methanamine(SALTDATA: FREE); |
The CAS register number of 1,5-Dimethyl-(1H)-pyrazole-4-methanamine is 400756-31-2. It also can be called as (1,5-dimethyl-1H-pyrazol-4-yl)methanaminehydrochloride and the IUPAC name about this chemical is (1,5-dimethylpyrazol-4-yl)methanamine. The molecular formula about this chemical is C6H11N3 and the molecular weight is 125.17.
Physical properties about 1,5-Dimethyl-(1H)-pyrazole-4-methanamine are: (1)ACD/LogP: -0.50; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 21.06 Å2; (6)Index of Refraction: 1.566; (7)Molar Refractivity: 36.19 cm3; (8)Molar Volume: 110.8 cm3; (9)Polarizability: 14.34x10-24cm3; (10)Surface Tension: 39 dyne/cm; (11)Density: 1.12 g/cm3; (12)Flash Point: 94.8 °C; (13)Enthalpy of Vaporization: 46.99 kJ/mol; (14)Boiling Point: 233.2 °C at 760 mmHg; (15)Vapour Pressure: 0.0567 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(c(n1C)C)CN
(2)InChI: InChI=1/C6H11N3/c1-5-6(3-7)4-8-9(5)2/h4H,3,7H2,1-2H3
(3)InChIKey: YMMVIBHFGRZKPK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H11N3/c1-5-6(3-7)4-8-9(5)2/h4H,3,7H2,1-2H3
(5)Std. InChIKey: YMMVIBHFGRZKPK-UHFFFAOYSA-N