6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile supplier

Name
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
EINECS
CAS No. 947305-16-0
Article Data2
CAS DataBase
Density 1.365 g/cm³
Solubility
Melting Point
Formula C₇H₆N₄
Boiling Point 359.3 °C at 760 mmHg
Molecular Weight 146.151
Flash Point 171.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 61.60000
LogP 0.28028

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile Specification

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

Product Name

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile Specification

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