Cas no 79005-58-6 ( )
structure
Product Name:
CAS No:79005-58-6
MF:C7H9N3O
MW:151.165860891342
CID:984468
PubChem ID:295836
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 4-prop-2-enoxypyrimidin-2-amine
- 2-Amino-4-allyloxy-pyrimidin
- 4-allyloxy-pyrimidin-2-ylamine
- AKOS017515212
- NSC-165448
- DTXSID80304331
- NSC165448
- 79005-58-6
-
-
- Inchi： 1S/C7H9N3O/c1-2-5-11-6-3-4-9-7(8)10-6/h2-4H,1,5H2,(H2,8,9,10)
- InChI Key： VHICQOYLFQRNHM-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C=CN=C(N)N=1
Computed Properties
- Exact Mass: 151.07500
- Monoisotopic Mass: 151.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 129
- 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: 0.8
- Topological Polar Surface Area: 61?2
Experimental Properties
- PSA: 61.03000
- LogP: 1.20480
Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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