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Name |
2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- |
EINECS | N/A |
CAS No. | 24391-36-4 | Density | 1.58 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9N5O | Boiling Point | N/A |
Molecular Weight | 179.181 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isoguanine,N,N-dimethyl- (8CI);Purin-2-ol, 6-dimethylamino- (6CI);NSC 20407; |
The CAS register number of 2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- is 24391-36-4. The IUPAC name about this chemical is 6-(dimethylamino)-3,7-dihydropurin-2-one. The molecular formula about this chemical is C7H9N5O and the molecular weight is 179.18136.
Physical properties about 2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- are: (1)ACD/LogP: -1.29; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 60.63 Å2; (6)Index of Refraction: 1.753; (7)Molar Refractivity: 46.35 cm3; (8)Molar Volume: 113.3 cm3; (9)Polarizability: 18.37x10-24cm3; (10)Surface Tension: 62.4 dyne/cm; (11)Density: 1.58 g/cm3; (12)Heavy Atom Count: 13; (13)Complexity: 262; (14)Covalently-Bonded Unit Count: 1; (15)Feature 3D Acceptor Count: 1; (16)Feature 3D Donor Count: 3; (17)Feature 3D Cation Count: 1; (18)Feature 3D Ring Count: 2; (19)Effective Rotor Count: 1; (20)Conformer Sampling RMSD: 0.4; (21)CID Conformer Count: 3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N(C)C)C2/N=C\N=C2\N1
(2)InChI: InChI=1/C7H9N5O/c1-12(2)6-4-5(9-3-8-4)10-7(13)11-6/h3-4H,1-2H3,(H,8,9,10,13)
(3)InChIKey: NZGOVBMVTMSBCQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H9N5O/c1-12(2)6-4-5(9-3-8-4)10-7(13)11-6/h3-4H,1-2H3,(H,8,9,10,13)
(5)Std. InChIKey: NZGOVBMVTMSBCQ-UHFFFAOYSA-N