Cas no 115204-67-6 (9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-)
115204-67-6 structure
Product Name:9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-
CAS No:115204-67-6
MF:C18H16ClN5
MW:337.806141853333
CID:173356
PubChem ID:3010193
Update Time:2025-04-19
9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-
- 2-chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)purin-6-amine
- 115204-67-6
- DTXSID00151001
- 2-chloro-N,N-dimethyl-9-[(naphthalen-2-yl)methyl]-9H-purin-6-amine
- 2-chloro-N,N-dimethyl-9-(2-naphthylmethyl)purin-6-amine
- CHEMBL303368
- 2-Chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)-9H-purin-6-amine
- 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-
-
- Inchi： 1S/C18H16ClN5/c1-23(2)16-15-17(22-18(19)21-16)24(11-20-15)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3
- InChI Key： JGBMKGWTRWWYDD-UHFFFAOYSA-N
- SMILES： ClC1N=C(C2=C(N=1)N(C=N2)CC1C=CC2C=CC=CC=2C=1)N(C)C
Computed Properties
- Exact Mass: 337.10968
- Monoisotopic Mass: 337.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 434
- 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: 4.3
- Topological Polar Surface Area: 46.8?2
Experimental Properties
- Density: 1.34
- Boiling Point: 533.6°C at 760 mmHg
- Flash Point: 276.5°C
- Refractive Index: 1.694
- PSA: 46.84
9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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