Cas no 1429744-16-0 (4-Pyrimidineethanamine, 2-amino-6-chloro-)
1429744-16-0 structure
Product Name:4-Pyrimidineethanamine, 2-amino-6-chloro-
CAS No:1429744-16-0
MF:C6H9ClN4
MW:172.61545920372
CID:2104992
Update Time:2023-11-19
4-Pyrimidineethanamine, 2-amino-6-chloro- Chemical and Physical Properties
Names and Identifiers
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- 2-amino-6-chloro-4-Pyrimidineethanamine
- CID 83851850
- 4-Pyrimidineethanamine, 2-amino-6-chloro-
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- Inchi： 1S/C6H9ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1-2,8H2,(H2,9,10,11)
- InChI Key： XICFVFOABQLNBO-UHFFFAOYSA-N
- SMILES： ClC1=CC(CCN)=NC(N)=N1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 121
- Topological Polar Surface Area: 77.8
Experimental Properties
- Density: 1.363±0.06 g/cm3(Predicted)
- Boiling Point: 385.4±50.0 °C(Predicted)
- pka: 8?+-.0.10(Predicted)
4-Pyrimidineethanamine, 2-amino-6-chloro- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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