CAS No.646506-40-3,1H-Pyrazol-3-amine,N,1,5-trimethyl-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	646506-40-3
Name:	1H-Pyrazol-3-amine,N,1,5-trimethyl-(9CI)

Formula:	C₆H₁₁N₃
Molecular Weight:	125.17
Synonyms:	N,1,5-Trimethyl-1H-pyrazol-3-amine;1H-Pyrazol-3-amine,N,1,5-trimethyl-(9CI);(1,5-Dimethyl-1H-pyrazol-3-yl)-methyl-amine;
Density:	1.06 g/cm³
Boiling Point:	234.4 °C at 760 mmHg
Flash Point:	95.6 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	29.85000
LogP:	0.84320

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Specification

The systematic name of N,1,5-Trimethyl-1H-pyrazol-3-amine is 1H-pyrazol-3-amine, N,1,5-trimethyl-. With the CAS registry number 646506-40-3, it is also named as (1,5-Dimethyl-1H-pyrazol-3-yl)-methyl-amine. The product's category is Pyrazole. In addition, its molecular formula is C₆H₁₁N₃ and its molecular weight is 125.17.

The other characteristics of N,1,5-Trimethyl-1H-pyrazol-3-amine can be summarized as: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.79; (7)ACD/KOC (pH 7.4): 23.9; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 29.85 Å²; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 37.15 cm³; (14)Molar Volume: 117.9 cm³; (15)Polarizability: 14.72×10^-24cm³; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 1.06 g/cm³; (18)Flash Point: 95.6 °C; (19)Enthalpy of Vaporization: 47.12 kJ/mol; (20)Boiling Point: 234.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0529 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cc(nn1C)NC
(2)InChI: InChI=1/C6H11N3/c1-5-4-6(7-2)8-9(5)3/h4H,1-3H3,(H,7,8)
(3)InChIKey: AQUXBPZGVWSPHB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H11N3/c1-5-4-6(7-2)8-9(5)3/h4H,1-3H3,(H,7,8)
(5)Std. InChIKey: AQUXBPZGVWSPHB-UHFFFAOYSA-N