Cas no 139429-39-3 (1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI))
139429-39-3 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI)
CAS No:139429-39-3
MF:C7H12ClN5
MW:207.634303092957
CID:102158
PubChem ID:12250981
Update Time:2025-04-18
1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI)
- Simazine-ring-UL-14C
- 6-Chloro-2-N,4-N-diethyl-(2,4,6-14C3)1,3,5-triazine-2,4-diamine
- 139429-39-3
-
- Inchi： 1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)/i5+2,6+2,7+2
- InChI Key： ODCWYMIRDDJXKW-WKMFQTRQSA-N
- SMILES： Cl[14C]1=N[14C](=N[14C](=N1)NCC)NCC
Computed Properties
- Exact Mass: 207.088
- Monoisotopic Mass: 207.088
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 2.2
- Topological Polar Surface Area: 62.7A^2
1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI) Security Information
- Hazardous Material transportation number：UN 2910 7
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38-40
- Safety Instruction： 26-36/37
-
Hazardous Material Identification：
- Risk Phrases：20/21/22-36/37/38-40
- Storage Condition：?20°C
1,3,5-Triazine-2,4-diamine,6-chloro-N,N'-diethyl-, labeled with carbon-14 (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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