Name: 1-Methyl-1H-pyrazol-4-ylamine
SKU: 69843-13-6

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Basic Information

Molecular Structure:
CAS No.:	69843-13-6
Name:	1-Methyl-1H-pyrazol-4-ylamine
Article Data:	40

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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Specification

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