Cas no 62637-13-2 (7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride)
![7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride structure](https://ossimg.kuujia.com/scimg/63000/62637-13-2x500.png)
62637-13-2 structure
Product Name:7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride
CAS No:62637-13-2
MF:C11H19Cl2N5O2
MW:324.206859827042
CID:437019
Update Time:2023-08-03
7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- 1H-Purine-2,6-dione,7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-, dihydrochloride
- C11H19Cl2N5O2
- 7-(3-(dimethylamino)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione dihydrochloride
- 7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride
-
- Inchi： 1S/C11H17N5O2.2ClH/c1-14(2)5-4-6-16-7-12-9-8(16)10(17)13-11(18)15(9)3;;/h7H,4-6H2,1-3H3,(H,13,17,18);2*1H
- InChI Key： MBQVGVWBRKUKMQ-UHFFFAOYSA-N
- SMILES： Cl.Cl.O=C1C2=C(N=CN2CCCN(C)C)N(C)C(N1)=O
Computed Properties
- Exact Mass: 323.092
- Monoisotopic Mass: 323.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 346
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.5
7-[3-(Dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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