Cas no 716-17-6 (1,2-Propanediol,3-(6-amino-9H-purin-9-yl)-)
716-17-6 structure
Product Name:1,2-Propanediol,3-(6-amino-9H-purin-9-yl)-
CAS No:716-17-6
MF:C8H11N5O2
MW:209.205240488052
CID:565908
PubChem ID:114769
Update Time:2025-04-19
1,2-Propanediol,3-(6-amino-9H-purin-9-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(6-amino-9H-purin-9-yl)-
- (+/-)-DHPA
- (+-)-3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
- (R,S)-3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
- (R,S)-9-(2,3-Dihydroxypropyl)adenine
- 1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (+-)-
- 1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (R,S)-
- 9-D-(2,3-Dihydroxypropyl)adenine
- NCI60_008824
- 9-(2,3-Dihydroxypropyl)adenine
- Oprea1_582201
- Oprea1_333016
- NSC627616
- EU-0000417
- CHEMBL11390
- 716-17-6
- BDBM50105900
- (2s)-3-(6-amino-9h-purin-9-yl)propane-1,2-diol
- AKOS016037915
- 9H-Purine-9-propanol,6-amino-.alpha.-hydroxy-
- AKOS000291492
- 3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
- (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
- 9-(2,3-Dihydroxypropyl)-adenine
- 3-(6-aminopurin-9-yl)propane-1,2-diol
- (S)-DHPA
- SR-01000391791
- NSC-627616
- CCG-103409
- DTXSID201270022
- HMS1677K18
- SR-01000391791-1
- SCHEMBL936287
-
- Inchi： 1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)
- InChI Key： GSLQFBVNOFBPRJ-UHFFFAOYSA-N
- SMILES： OC(CO)CN1C=NC2=C(N)N=CN=C12
Computed Properties
- Exact Mass: 209.09143
- Monoisotopic Mass: 209.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.5
- Topological Polar Surface Area: 110A^2
Experimental Properties
- Density: 1.73
- Boiling Point: 577.8°C at 760 mmHg
- Flash Point: 303.2°C
- Refractive Index: 1.788
- PSA: 110.08
1,2-Propanediol,3-(6-amino-9H-purin-9-yl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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