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CAS No.: | 69843-13-6 |
---|---|
Name: | 1-Methyl-1H-pyrazol-4-ylamine |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C4H7N3 |
Molecular Weight: | 97.1197 |
Synonyms: | (1-Methyl-1H-pyrazol-4-yl)amine;4-Amino-1-methyl-1H-pyrazole;1-Methyl-1H-pyrazol-4-ylamine; |
EINECS: | 674-953-1 |
Density: | 1.22g/cm3 |
Melting Point: | 47-50℃ |
Boiling Point: | 231.4 °C at 760 mmHg |
Flash Point: | 93.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/38 |
Safety: | 26 |
PSA: | 43.84000 |
LogP: | 0.58350 |
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The 1-Methyl-1H-pyrazol-4-ylamine, with cas registry number 69843-13-6, has the systematic name of 1-methyl-1H-pyrazol-4-amine. And it is also called 1H-Pyrazol-4-amine, 1-methyl-.
Physical properties about this chemical are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.7; (8)ACD/KOC (pH 7.4): 5.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 27.16 cm3; (15)Molar Volume: 79.3 cm3; (16)Polarizability: 10.76×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Enthalpy of Vaporization: 46.81 kJ/mol; (19)Vapour Pressure: 0.0624 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(N)cn1C
(2)InChI: InChI=1/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
(3)InChIKey: LBGSWBJURUFGLR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
(5)Std. InChIKey: LBGSWBJURUFGLR-UHFFFAOYSA-N