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127107-23-7

Basic Information
CAS No.: 127107-23-7
Name: 1-methyl-1H-pyrazol-4-amine
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 127107-23-7 (1-methyl-1H-pyrazol-4-amine)
Formula: C4H7N3
Molecular Weight: 133.581
Synonyms: 1-Methyl-1H-pyrazol-4-amine;
Density: 1.22 g/cm3
Boiling Point: 231.4 °C at 760 mmHg
Flash Point: 93.8 °C
PSA: 43.84000
LogP: 0.58350
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Specification

The 1H-Pyrazol-4-amine, 1-methyl-, with the CAS registry number of 127107-23-7, is also known as 1-Methyl-1H-pyrazol-4-amine dihydrochloride. This chemical's molecular formula is C4H7N3 and molecular weight is 97.12. What's more, its systematic name is called 1-Methyl-1H-pyrazol-4-amine.

Physical properties about 1H-Pyrazol-4-amine, 1-methyl- 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)Surface Tension: 46.8 dyne/cm; (17)Density: 1.22 g/cm3; (18)Flash Point: 93.8 °C; (19)Enthalpy of Vaporization: 46.81 kJ/mol; (20)Boiling Point: 231.4 °C at 760 mmHg; (21)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