CAS No.1124-16-9,2-ISOPROPYL-5-METHYL-2 H-PYRAZOL-3-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1124-16-9
Name:	2-ISOPROPYL-5-METHYL-2 H-PYRAZOL-3-YLAMINE
Article Data:	6

Formula:	C₇H₁₃N₃
Molecular Weight:	139.2
Synonyms:	Pyrazole,5-amino-1-isopropyl-3-methyl- (7CI,8CI);1-Isopropyl-3-methyl-5-aminopyrazole;1-Isopropyl-3-methyl-5-pyrazolamine;5-Amino-1-isopropyl-3-methylpyrazole;
EINECS:	689-028-8
Density:	1.1 g/cm³
Melting Point:	110-112℃
Boiling Point:	245.4 °C at 760 mmHg
Flash Point:	102.2 °C
Hazard Symbols:	Xi,T
Risk Codes:	25
Safety:	45
PSA:	43.84000
LogP:	1.93580

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Specification

This chemical is called 1H-Pyrazol-5-amine,3-methyl-1-(1-methylethyl)-, and its CAS registry number is 1124-16-9. With the molecular formula of C₇H₁₃N₃, its molecular weight is 139.20.

Other characteristics of the 1H-Pyrazol-5-amine,3-methyl-1-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.05; (8)ACD/KOC (pH 7.4): 31.49; (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: 102.2 °C; (20)Enthalpy of Vaporization: 48.25 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0287 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(cc(N)n1C(C)C)C
2.InChI: InChI=1/C7H13N3/c1-5(2)10-7(8)4-6(3)9-10/h4-5H,8H2,1-3H3
3.InChIKey: OCSWHADWFJTNAZ-UHFFFAOYAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	> 1gm/kg (1000mg/kg)		Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.