Cas no 40127-91-1 (2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-)
40127-91-1 structure
Product Name:2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-
CAS No:40127-91-1
MF:C6H5ClN4
MW:168.583698987961
CID:333197
PubChem ID:583772
Update Time:2025-04-19
2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-
- 3-amino-6-(chloromethyl)pyrazine-2-carbonitrile
- 3-amino-6-(chloromethyl)pyrazinecarbonitrile
- EINECS 254-800-1
- 3-amino-6-chloromethyl-2-pyrazinecarbonitrile
- 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile #
- NS00030724
- Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-
- 2-Amino-5-chloromethylpyrazine-3-carbonitrile
- 2-Amino-3-cyano-5-chloromethyl pyrazine
- SCHEMBL3007559
- DTXSID50193158
- 40127-91-1
- Pyrazine-2-carbonitrile, 3-amino-6-chloromethyl-
- AKOS006386915
-
- Inchi： 1S/C6H5ClN4/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,1H2,(H2,9,10)
- InChI Key： DFKLUMFIWPTGHP-UHFFFAOYSA-N
- SMILES： ClCC1C=NC(=C(C#N)N=1)N
Computed Properties
- Exact Mass: 168.02
- Monoisotopic Mass: 168.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 0.5
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- Density: 1.44
- Boiling Point: 381.5°C at 760 mmHg
- Flash Point: 184.5°C
- Refractive Index: 1.599
2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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