3-Isopropyl-1-methyl-1H-pyrazol-5-amine supplier

Name
3-ISO-PROPYL-1-METHYL-1H-PYRAZOL-5-AMINE
EINECS
CAS No. 3702-12-3
Article Data11
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₇H₁₃N₃
Boiling Point 256.4 °C at 760 mmHg
Molecular Weight 139.20
Flash Point 108.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole, 5-amino-3-isopropyl-1-methyl- (6CI,7CI,8CI);3-Isopropyl-1-methyl-1H-pyrazol-5-amine;5-Amino-1-methyl-3-isopropylpyrazole;
PSA 43.84000
LogP 1.70690

3-Isopropyl-1-methyl-1H-pyrazol-5-amine Specification

The Systematic name of 3-Isopropyl-1-methyl-1H-pyrazol-5-amine is 1-Methyl-3-(1-methylethyl)-1H-pyrazol-5-amine. With the CAS registry number 3702-12-3, it is also named as 5-Amino-1-methyl-3-isopropylpyrazole. The product's Molecular Formula is C₇H₁₃N₃ and its Molecular Weight is 139.20.

The other characteristics of 3-Isopropyl-1-methyl-1H-pyrazol-5-amine can be summarized as: (1)ACD/LogP: 0.22 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.2 ; (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): 29.8 ; (8)ACD/KOC (pH 7.4): 31.51 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.556 ; (13)Molar Refractivity: 40.62 cm³; (14)Molar Volume: 126.2 cm³ ; (15)Surface Tension: 35.6 dyne/cm ; (16)Density: 1.1 g/cm³ ; (17)Flash Point: 108.9 °C ; (18)Enthalpy of Vaporization: 49.39 kJ/mol ; (19)Boiling Point: 256.4 °C at 760 mmHg ; (20)Vapour Pressure: 0.0154 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1c(cc(N)n1C)C(C)C;
(2)InChI:InChI=1/C7H13N3/c1-5(2)6-4-7(8)10(3)9-6/h4-5H,8H2,1-3H3;
(3)InChIKey:KGEGNOFPNKTJNU-UHFFFAOYAA;
(4)Std. InChI:InChI=1S/C7H13N3/c1-5(2)6-4-7(8)10(3)9-6/h4-5H,8H2,1-3H3;
(5)Std. InChIKey:KGEGNOFPNKTJNU-UHFFFAOYSA-N.

Product Name

3-ISO-PROPYL-1-METHYL-1H-PYRAZOL-5-AMINE

3-Isopropyl-1-methyl-1H-pyrazol-5-amine Specification

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