Cas no 89981-46-4 (6-chloro-9-propyl-9H-Purine)
6-chloro-9-propyl-9H-Purine structure
Product Name:6-chloro-9-propyl-9H-Purine
CAS No:89981-46-4
MF:C8H9ClN4
MW:196.63685965538
CID:1120804
Update Time:2024-03-05
6-chloro-9-propyl-9H-Purine Chemical and Physical Properties
Names and Identifiers
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- 6-chloro-9-propyl-9H-Purine
- 9H-Purine, 6-chloro-9-propyl-
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- Inchi： 1S/C8H9ClN4/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h4-5H,2-3H2,1H3
- InChI Key： LZGHTGRSJLBTTI-UHFFFAOYSA-N
- SMILES： N1C2C(=NC=NC=2Cl)N(CCC)C=1
Computed Properties
- Exact Mass: 196.052
- Monoisotopic Mass: 196.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 178
- 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
6-chloro-9-propyl-9H-Purine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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