Cas no 158300-13-1 (1H-Purin-6-amine,N-(1,3-dimethyl-2-butenyl)-, (R)- (9CI))
158300-13-1 structure
Product Name:1H-Purin-6-amine,N-(1,3-dimethyl-2-butenyl)-, (R)- (9CI)
CAS No:158300-13-1
MF:C11H15N5
MW:217.270301103592
CID:172494
PubChem ID:157815
Update Time:2025-04-19
1H-Purin-6-amine,N-(1,3-dimethyl-2-butenyl)-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Purin-6-amine,N-(1,3-dimethyl-2-butenyl)-, (R)- (9CI)
- (R)-N-(1,3-Dimethyl-2-butenyl)-1H-purin-6-amine
- 1H-Purin-6-amine, N-(1,3-dimethyl-2-butenyl)-, (R)-
- N(6)-(1,3-Dimethyl-2-butenyl)adenine
- N(6)-Dmba
- N-[(2R)-4-methylpent-3-en-2-yl]-7H-purin-6-amine
- DTXSID90935892
- 158300-13-1
- N-(4-Methylpent-3-en-2-yl)-9H-purin-6-amine
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- Inchi： 1S/C11H15N5/c1-7(2)4-8(3)16-11-9-10(13-5-12-9)14-6-15-11/h4-6,8H,1-3H3,(H2,12,13,14,15,16)/t8-/m1/s1
- InChI Key： LGNPWLZSKYBNGQ-MRVPVSSYSA-N
- SMILES： N(C1=C2C(=NC=N1)N=CN2)[C@H](C)/C=C(\C)/C
Computed Properties
- Exact Mass: 217.13295
- Monoisotopic Mass: 217.133
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- Density: 1.225
- Boiling Point: 471.3°Cat760mmHg
- Flash Point: 238.8°C
- Refractive Index: 1.659
- PSA: 66.49
1H-Purin-6-amine,N-(1,3-dimethyl-2-butenyl)-, (R)- (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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