Cas no 90008-65-4 (5-Pyrimidinemethanol,4-amino-2-ethoxy-)
90008-65-4 structure
Product Name:5-Pyrimidinemethanol,4-amino-2-ethoxy-
CAS No:90008-65-4
MF:C7H11N3O2
MW:169.181141138077
CID:814316
PubChem ID:249108
Update Time:2025-04-19
5-Pyrimidinemethanol,4-amino-2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinemethanol,4-amino-2-ethoxy-
- (4-amino-2-ethoxypyrimidin-5-yl)methanol
- NSC67079
- 90008-65-4
- DTXSID30290154
- NSC-67079
-
- Inchi： 1S/C7H11N3O2/c1-2-12-7-9-3-5(4-11)6(8)10-7/h3,11H,2,4H2,1H3,(H2,8,9,10)
- InChI Key： UKMKDXMKQZZEDS-UHFFFAOYSA-N
- SMILES： O(CC)C1=NC=C(CO)C(N)=N1
Computed Properties
- Exact Mass: 169.085
- Monoisotopic Mass: 169.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 134
- 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: 0.2
- Topological Polar Surface Area: 81.3?2
Experimental Properties
- Density: 1.276
- Boiling Point: 392.6°C at 760 mmHg
- Flash Point: 191.3°C
- Refractive Index: 1.585
- PSA: 81.26000
- LogP: 0.53100
5-Pyrimidinemethanol,4-amino-2-ethoxy- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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