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Cas Database |
| Name |
6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione |
EINECS | 1533716-785-6 |
| CAS No. | 635698-34-9 | Density | 1.37g/cm3 |
| PSA | 68.96000 | LogP | 0.51690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H13 N3 O2 | Boiling Point | N/A |
| Molecular Weight | 243.265 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione; |
Article Data | 1 |
6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione Specification
The 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione with cas registry number of 635698-34-9, is also called 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-6-(phenylmethyl)- .The 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione belongs to the following product categorie: chiral chemicals.
Physical properties of 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione :(1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.71; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 61.44 Å2; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 65.95 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 26.14×10-24cm3; (13)Surface Tension: 63.5 dyne/cm.
You can still convert the following datas into molecular structure:(1)SMILES:O=C1NC(=O)NC=2CN(CC1=2)Cc3ccccc3; (2)InChI:InChI=1/C13H13N3O2/c17-12-10-7-16(6-9-4-2-1-3-5-9)8-11(10)14-13(18)15-12/h1-5H,6-8H2,(H2,14,15,17,18); (3)InChIKey:HHPFBTNJYIYLKC-UHFFFAOYAC; (4)Std. InChI:InChI=1S/C13H13N3O2/c17-12-10-7-16(6-9-4-2-1-3-5-9)8-11(10)14-13(18)15-12/h1-5H,6-8H2,(H2,14,15,17,18); (5)Std. InChIKey:HHPFBTNJYIYLKC-UHFFFAOYSA-N.
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