Cas no 98135-37-6 (2-Pyrazinecarboxamide,3-(aminomethyl)-)
98135-37-6 structure
Product Name:2-Pyrazinecarboxamide,3-(aminomethyl)-
CAS No:98135-37-6
MF:C6H8N4O
MW:152.153920173645
CID:801610
PubChem ID:57063323
Update Time:2025-04-19
2-Pyrazinecarboxamide,3-(aminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxamide,3-(aminomethyl)-
- Pyrazinamide, 3-aminomethyl- (6CI)
- 3-(aminomethyl)pyrazine-2-carboxamide
- 3-(Aminomethyl)-2-pyrazinecarboxamide
- 98135-37-6
- DTXSID301286155
-
- Inchi： 1S/C6H8N4O/c7-3-4-5(6(8)11)10-2-1-9-4/h1-2H,3,7H2,(H2,8,11)
- InChI Key： UHHOBYQQJQDVHQ-UHFFFAOYSA-N
- SMILES： O=C(C1C(CN)=NC=CN=1)N
Computed Properties
- Exact Mass: 152.07
- Monoisotopic Mass: 152.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 150
- 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
- Topological Polar Surface Area: 94.9A^2
- XLogP3: -2.1
2-Pyrazinecarboxamide,3-(aminomethyl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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