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CAS No.: | 352018-93-0 |
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Name: | (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE |
Molecular Structure: | |
Formula: | C7H13N3 |
Molecular Weight: | 139.1982 |
Synonyms: | (1,3,5-Trimethyl-1H-pyrazol-4-yl)methanamine;[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl]amine;1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine;1H-Pyrazole-4-methanamine, 1,3,5-trimethyl-; |
Density: | 1.1 g/cm3 |
Boiling Point: | 247 °C at 760 mmHg |
Flash Point: | 103.2 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 43.84000 |
LogP: | 1.19590 |
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The 1H-Pyrazole-4-methanamine,1,3,5-trimethyl-, with the CAS registry number 352018-93-0, has the systematic name of 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine. It is a kind of irritant chemical, and the molecular formula of the chemical is C7H13N3.
The characteristics of 1H-Pyrazole-4-methanamine,1,3,5-trimethyl- are as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.62 cm3; (15)Molar Volume: 126.2 cm3; (16)Polarizability: 16.1×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 48.41 kJ/mol; (21)Boiling Point: 247 °C at 760 mmHg; (22)Vapour Pressure: 0.0263 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(c(c(n1C)C)CN)C
(2)InChI: InChI=1/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3
(3)InChIKey: DGVBHLRORWEBLP-UHFFFAOYAP