Cas no 1670-62-8 (9H-Purine-9-ethanol,6-chloro-)
9H-Purine-9-ethanol,6-chloro- structure
Product Name:9H-Purine-9-ethanol,6-chloro-
CAS No:1670-62-8
MF:C7H7ClN4O
MW:198.609679460526
CID:234131
PubChem ID:234010
Update Time:2025-04-19
9H-Purine-9-ethanol,6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-9-ethanol,6-chloro-
- 2-(6-Chloro-purin-9-yl)-ethanol
- 2-(6-chloropurin-9-yl)ethanol
- 2-(6-chloro-9h-purin-9-yl)ethanol
- 6-chloro-9-(2'-hydroxyethyl)purine
- 6-chloro-9H-purine-9-ethanol
- 9-(2-hydroxyethyl)-6-chloropurine
- AC1L5RAJ
- AC1Q3S05
- AR-1C8242
- CTK4D2538
- NSC33196
- ZSHDQQJQYPKAIA-UHFFFAOYSA-N
- AMY21217
- NSC-33196
- AKOS006306851
- SCHEMBL9741153
- 6-Chloro-9-hydroxyethyl purine
- 6-chloro-9-hydroxyethylpurine
- BB 0305930
- 1670-62-8
- DTXSID70283742
- 2-(6-chloro-9H-purin-9-yl)ethan-1-ol
-
- Inchi： 1S/C7H7ClN4O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2
- InChI Key： ZSHDQQJQYPKAIA-UHFFFAOYSA-N
- SMILES： ClC1=C2C(=NC=N1)N(C=N2)CCO
Computed Properties
- Exact Mass: 198.03101
- Monoisotopic Mass: 198.0308386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 182
- 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: 0.5
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 63.83
9H-Purine-9-ethanol,6-chloro- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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