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952182-06-8

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Basic Information
CAS No.: 952182-06-8
Name: tert-butyl 3-amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
Molecular Structure:
Molecular Structure of 952182-06-8 (tert-butyl 3-amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate)
Formula: C10H18N4O2
Molecular Weight: 226.28
Synonyms: 3-Amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester;Aminodihydropyrrolopyrazolecarboxylic acid tert-butyl ester;
Density: 1.41 g/cm3
Boiling Point: 353.9 °C at 760 mmHg
Flash Point: 167.8 °C
PSA: 79.95000
LogP: 0.49990
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Specification

The Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 3-amino-3a,4,6,6a-tetrahydro-, 1,1-dimethylethyl ester, with the CAS registry number 952182-06-8, is also known as 3-Amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C10H18N4O2 and molecular weight is 226.28. What's more, its systematic name is tert-butyl 3-amino-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate.

Physical properties of Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 3-amino-3a,4,6,6a-tetrahydro-, 1,1-dimethylethyl ester are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 79.95 Å2; (6)Index of Refraction: 1.64; (7)Molar Refractivity: 57.72 cm3; (8)Molar Volume: 160.1 cm3; (9)Polarizability: 22.88×10-24cm3; (10)Surface Tension: 51.4 dyne/cm; (11)Density: 1.41 g/cm3; (12)Flash Point: 167.8 °C; (13)Enthalpy of Vaporization: 59.89 kJ/mol; (14)Boiling Point: 353.9 °C at 760 mmHg; (15)Vapour Pressure: 3.48E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2C(C1)NN=C2N
(2)Std. InChI: InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h6-7,12H,4-5H2,1-3H3,(H2,11,13)
(3)Std. InChIKey: GCRNGPNGNJSZCC-UHFFFAOYSA-N