2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- supplier

Name
6-(dimethylamino)-3,5-dihydro-2H-purin-2-one
EINECS
CAS No. 24391-36-4
Density 1.58 g/cm³
Solubility
Melting Point
Formula C₇H₉N₅O
Boiling Point
Molecular Weight 179.181
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoguanine,N,N-dimethyl- (8CI);Purin-2-ol, 6-dimethylamino- (6CI);NSC 20407;
PSA
LogP

2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- Specification

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

Product Name

6-(dimethylamino)-3,5-dihydro-2H-purin-2-one

2H-Purin-2-one,6-(dimethylamino)-1,3-dihydro- Specification

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