Cas no 14937-69-0 (6H-Purin-6-one,2-amino-1,9-dihydro-9-pentyl-)
14937-69-0 structure
Product Name:6H-Purin-6-one,2-amino-1,9-dihydro-9-pentyl-
CAS No:14937-69-0
MF:C10H15N5O
MW:221.259001016617
CID:226365
PubChem ID:135415587
Update Time:2025-04-19
6H-Purin-6-one,2-amino-1,9-dihydro-9-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-1,9-dihydro-9-pentyl-
- 2-amino-9-pentyl-3H-purin-6-one
- 2-amino-9-pentyl-1,9-dihydro-purin-6-one
- 9-n-pentylguanine
- AC1L7D98
- CHEMBL117131
- NSC210441
- SureCN8522271
- 6H-Purin-6-one, 2-amino-1,9-dihydro-9-pentyl-
- DTXSID50308947
- SCHEMBL8522271
- NSC-210441
- 2-amino-9-pentyl-1H-purin-6-one
- pentylguanine
- 14937-69-0
-
- Inchi： 1S/C10H15N5O/c1-2-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16/h6H,2-5H2,1H3,(H3,11,13,14,16)
- InChI Key： PWNHFVHIQRRRCZ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(N)N1)N(C=N2)CCCCC
Computed Properties
- Exact Mass: 221.12785
- Monoisotopic Mass: 221.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 304
- 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: 1
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- Density: 1.43
- Boiling Point: 479.6°C at 760 mmHg
- Flash Point: 243.8°C
- Refractive Index: 1.691
- PSA: 89.85
6H-Purin-6-one,2-amino-1,9-dihydro-9-pentyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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