Cas no 924904-15-4 (7H-Purine, 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]-)
924904-15-4 structure
Product Name:7H-Purine, 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]-
CAS No:924904-15-4
MF:C13H10Cl2N4
MW:293.151299953461
CID:736054
PubChem ID:24204506
Update Time:2025-04-19
7H-Purine, 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 7H-Purine, 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]-
- 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]purine
- N/A.
- 924904-15-4
- 6-Chloro-7-{[4-(chloromethyl)phenyl]methyl}-7H-purine
- DTXSID60639830
- CHEMBL2262433
- Benzeneacetic acid, alpha-methyl-alpha-propyl-, Methyl ester
- 6-Chloro-7-(4-(chloromethyl)benzyl)-7H-purine
- NSC732087
- NSC-732087
- AKOS030559734
-
- Inchi: 1S/C13H10Cl2N4/c14-5-9-1-3-10(4-2-9)6-19-8-18-13-11(19)12(15)16-7-17-13/h1-4,7-8H,5-6H2
- InChI Key: ZWJCVKMMYBZQLN-UHFFFAOYSA-N
- SMILES: ClC1=C2C(=NC=N1)N=CN2CC1C=CC(CCl)=CC=1
Computed Properties
- Exact Mass: 292.0282517g/mol
- Monoisotopic Mass: 292.0282517g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 296
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 43.6?2
7H-Purine, 6-chloro-7-[[4-(chloromethyl)phenyl]methyl]- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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