Basic Information | Post buying leads | Suppliers |
Name |
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 3-amino-3a,4,6,6a-tetrahydro-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 952182-06-8 | Density | 1.41 g/cm3 |
PSA | 79.95000 | LogP | 0.49990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H18N4O2 | Boiling Point | 353.9 °C at 760 mmHg |
Molecular Weight | 226.28 | Flash Point | 167.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester;Aminodihydropyrrolopyrazolecarboxylic acid tert-butyl ester; |
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