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Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid, 3-amino-3a,4,6,6a-tetrahydro-, 5-(1,1-dimethylethyl) 1-ethyl ester (1053656-67-9)

Identification
Name:Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid, 3-amino-3a,4,6,6a-tetrahydro-, 5-(1,1-dimethylethyl) 1-ethyl ester
Synonyms:3-Amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-tert-butyl 1-ethyl ester
CAS:1053656-67-9
Molecular Formula: C13H22 N4 O4
Molecular Weight: 298.34
Molecular Structure: (C13H22N4O4) 3-Amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-tert-butyl 1-ethyl ester
Properties
Density:1.37
Specification:

The 5-tert-Butyl 1-ethyl 3-amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate, with CAS registry number 1053656-67-9, belongs to the following product category: Chiral Chemicals. It has the systematic name of O5-tert-butyl O1-ethyl 3-amino-3a,4,6,6a-tetrahydropyrrolo[3,4-d]pyrazole-1,5-dicarboxylate. And the chemical formula of this chemical is C13H22N4O4.

Physical properties of 5-tert-Butyl 1-ethyl 3-amino-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 8; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 97.46 Å2; (6)Index of Refraction: 1.601; (7)Molar Refractivity: 74.51 cm3; (8)Molar Volume: 217.4 cm3; (9)Polarizability: 29.53×10-24cm3; (10)Surface Tension: 49.3 dyne/cm; (11)Enthalpy of Vaporization: 66.46 kJ/mol; (12)Vapour Pressure: 5.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2C(\N)=N/N(C(=O)OCC)C2C1
(2)InChI: InChI=1/C13H22N4O4/c1-5-20-12(19)17-9-7-16(6-8(9)10(14)15-17)11(18)21-13(2,3)4/h8-9H,5-7H2,1-4H3,(H2,14,15)
(3)InChIKey: QPGYUAXVMWLYLW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H22N4O4/c1-5-20-12(19)17-9-7-16(6-8(9)10(14)15-17)11(18)21-13(2,3)4/h8-9H,5-7H2,1-4H3,(H2,14,15)
(5)Std. InChIKey: QPGYUAXVMWLYLW-UHFFFAOYSA-N

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