Cas no 28958-94-3 (4-Pyrimidinecarboxylicacid, hexahydro-2-imino-, (+)- (8CI))
28958-94-3 structure
Product Name:4-Pyrimidinecarboxylicacid, hexahydro-2-imino-, (+)- (8CI)
CAS No:28958-94-3
MF:C5H9N3O2
MW:143.143860578537
CID:287705
PubChem ID:206957
Update Time:2025-04-19
4-Pyrimidinecarboxylicacid, hexahydro-2-imino-, (+)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylicacid, hexahydro-2-imino-, (+)- (8CI)
- 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
- 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
- AKOS006362418
- 2-IMINO-1,3-DIAZINANE-4-CARBOXYLIC ACID
- OF-11
- 28958-94-3
- DTXSID80951581
- 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLICACID
- 4-Pyrimidinecarboxylic acid, hexahydro-2-imino-, (+)-
- 738558-38-8
-
- Inchi： 1S/C5H9N3O2/c6-5-7-2-1-3(8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
- InChI Key： WTOIKBZVZXPOIR-UHFFFAOYSA-N
- SMILES： OC(C1CCN=C(N)N1)=O
Computed Properties
- Exact Mass: 143.06957
- Monoisotopic Mass: 143.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 178
- 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: -1.4
- Topological Polar Surface Area: 87.7?2
Experimental Properties
- Density: 1.68
- Boiling Point: 365.6°Cat760mmHg
- Flash Point: 174.9°C
- Refractive Index: 1.696
- PSA: 87.71
4-Pyrimidinecarboxylicacid, hexahydro-2-imino-, (+)- (8CI) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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