Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile |
EINECS | N/A |
CAS No. | 947305-16-0 | Density | 1.365 g/cm3 |
PSA | 61.60000 | LogP | 0.28028 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6N4 | Boiling Point | 359.3 °C at 760 mmHg |
Molecular Weight | 146.151 | Flash Point | 171.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile;4-d]pyriMidine-2-carbonitrile;5H,6H,7H-pyrrolo[3,4-d]pyriMidine-2-carbonitrile |
Article Data | 2 |
The 5H-Pyrrolo[3,4-d]pyrimidine-2-carbonitrile,6,7-dihydro-, with the CAS registry number 947305-16-0, belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C7H6N4 and molecular weight is 146.1493. Its systematic name is called 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile.
Physical properties of 5H-Pyrrolo[3,4-d]pyrimidine-2-carbonitrile,6,7-dihydro-: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)Index of Refraction: 1.623; (4)Molar Refractivity: 37.77 cm3; (5)Molar Volume: 107 cm3; (6)Surface Tension: 79.3 dyne/cm; (7)Density: 1.36 g/cm3; (8)Flash Point: 171.1 °C; (9)Enthalpy of Vaporization: 60.49 kJ/mol; (10)Boiling Point: 359.3 °C at 760 mmHg; (11)Vapour Pressure: 2.4E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(nc(n1)C#N)CNC2
(2)InChI: InChI=1/C7H6N4/c8-1-7-10-3-5-2-9-4-6(5)11-7/h3,9H,2,4H2
(3)InChIKey: XGULKVWYPKGQSM-UHFFFAOYAN