Cas no 115204-71-2 (9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl-)
![9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl- structure](https://ossimg.kuujia.com/scimg/115500/115204-71-2x500.png)
115204-71-2 structure
Product Name:9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl-
CAS No:115204-71-2
MF:C14H15ClN6
MW:302.762100458145
CID:188462
PubChem ID:3010197
Update Time:2025-04-19
9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl-
- 9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
- 9H-Purin-6-amine, 9-((3-aminophenyl)methyl)-2-chloro-N,N-dimethyl-
- 115204-71-2
- CHEMBL304907
- 9-(3-Aminobenzyl)-2-chloro-N,N-dimethyl-9H-purin-6-amine
- DTXSID40151005
- 9-[(3-AMINOPHENYL)METHYL]-2-CHLORO-N,N-DIMETHYL-9H-PURIN-6-AMINE
- 9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl-purin-6-amine
- 9H-Purin-6-amine, 9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl-
-
- Inchi： 1S/C14H15ClN6/c1-20(2)12-11-13(19-14(15)18-12)21(8-17-11)7-9-4-3-5-10(16)6-9/h3-6,8H,7,16H2,1-2H3
- InChI Key： OCFPWDSBAKIORA-UHFFFAOYSA-N
- SMILES： ClC1N=C(C2=C(N=1)N(C=N2)CC1C=CC=C(C=1)N)N(C)C
Computed Properties
- Exact Mass: 302.10495
- Monoisotopic Mass: 302.1046722g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 354
- 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: 2.4
- Topological Polar Surface Area: 72.9?2
Experimental Properties
- PSA: 72.86
9H-Purin-6-amine,9-[(3-aminophenyl)methyl]-2-chloro-N,N-dimethyl- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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