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398491-61-7

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CAS No.: 398491-61-7
Name: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
Article Data: 6
Molecular Structure:
Molecular Structure of 398491-61-7 (TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE)
Formula: C12H20N4O2
Molecular Weight: 252.316
Synonyms: 3-Amino-5-(tert-butoxycarbonyl)-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole;3-Amino-5-(tert-butoxycarbonyl)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole;tert-Butyl3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate;
Density: 1.207 g/cm3
Boiling Point: 420.6 °C at 760 mmHg
Flash Point: 208.1 °C
PSA: 84.24000
LogP: 2.49680
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Chemistry


Systematic Name: tert-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
Molecular Formula: C12H20N4O2
Molecular Weight: 252.31 g/mol
Canonical SMILES: CC1(c2c(c(n[nH]2)N)CN1C(=O)OC(C)(C)C)C
InChI: InChI=1/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)
Mol File: 398491-61-7.mol
Product Categories: Chiral chemicals
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 84.24
Index of Refraction: 1.567
Molar Refractivity: 68.27 cm3
Molar Volume: 209 cm3
Polarizability: 27.06×10-24 cm3
Surface Tension: 52.3 dyne/cm
Density: 1.207 g/cm3
Flash Point: 208.1 °C
Enthalpy of Vaporization: 67.44 kJ/mol
Boiling Point: 420.6 °C at 760 mmHg
Vapour Pressure of tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate (CAS NO.398491-61-7): 2.79E-07 mmHg at 25 °C

Specification

 tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate (CAS NO.398491-61-7), its Synonyms are Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid ; Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-amino-4,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester .