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514816-08-1

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Basic Information
CAS No.: 514816-08-1
Name: N-methyl(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine hydrochloride
Molecular Structure:
Molecular Structure of 514816-08-1 (N-methyl(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine hydrochloride)
Formula: C8H15N3
Molecular Weight: 153.22
Synonyms: 1H-Pyrazole-4-methanamine, n,1,3,5-tetramethyl-;Methanamine, N-(1,3,5-trimethyl-4-pyrazolylmethyl)-;Methyl-(1,3,5-trimethyl-1H-pyrazol-4-ylmethyl)-amine;N-Methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)-methyl]amine;AC1Q4V8N;AC1Q413F;
EINECS: 604-604-1
Density: 1.02 g/cm3
Boiling Point: 236.8 °C at 760 mmHg
Flash Point: 97 °C
PSA: 29.85000
LogP: 1.14720
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Specification

The N-Methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine with CAS registry number of 514816-08-1 is also known as 1H-Pyrazole-4-methanamine, n,1,3,5-tetramethyl-. The IUPAC name and product name are the same. In addition, the formula is C8H15N3 and the molecular weight is 153.22.

Physical properties about N-Methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine are: (1)ACD/LogP: 0.39; (2)ACD/LogD (pH 5.5): -2.65; (3)ACD/LogD (pH 7.4): -1.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 46.18 cm3; (13)Molar Volume: 149.4 cm3; (14)Surface Tension: 30.7 dyne/cm; (15)Density: 1.02 g/cm3; (16)Flash Point: 97 °C; (17)Enthalpy of Vaporization: 47.36 kJ/mol; (18)Boiling Point: 236.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0464 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: n1c(c(c(n1C)C)CNC)C
2. InChI: InChI=1/C8H15N3/c1-6-8(5-9-3)7(2)11(4)10-6/h9H,5H2,1-4H3
3. InChIKey: DBORGGVCQYVMEP-UHFFFAOYAF
4. Std. InChI: InChI=1S/C8H15N3/c1-6-8(5-9-3)7(2)11(4)10-6/h9H,5H2,1-4H3
5. Std. InChIKey: DBORGGVCQYVMEP-UHFFFAOYSA-N