Cas no 15386-48-8 (1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-, hydrochloride (1:1))
15386-48-8 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-, hydrochloride (1:1)
CAS No:15386-48-8
MF:C7H13Cl2N5
MW:238.117618322372
CID:153507
PubChem ID:11970382
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-, hydrochloride (1:1)
- 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine,hydrochloride
- DTXSID40165460
- 15386-48-8
- s-Triazine, 2-chloro-4,6-bis(ethylamino)-, monohydrochloride
- Z2895178038
- Simazine HCl
- Simazine hydrochloride
-
- Inchi： 1S/C7H12ClN5.ClH/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H
- InChI Key： VRCXHMGSXHDTLT-UHFFFAOYSA-N
- SMILES： ClC1=NC(=NC(=N1)NCC)NCC.Cl
Computed Properties
- Exact Mass: 237.05509
- Monoisotopic Mass: 237.054801
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 131
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.7
Experimental Properties
- Boiling Point: 365.8°Cat760mmHg
- Flash Point: 175°C
- PSA: 62.73
1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-, hydrochloride (1:1) Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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