Cas no 109905-63-7 (1,3,5-Triazine-2,4-diamine,6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)- (9CI))
109905-63-7 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)- (9CI)
CAS No:109905-63-7
MF:C9H16ClN5
MW:229.709839820862
CID:218689
PubChem ID:184136
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine,6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4-diamine,6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)- (9CI)
- CHEBI:83791
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)-
- DTXSID701150938
- n-[(2s)-butan-2-yl]-6-chloro-n'-ethyl-1,3,5-triazine-2,4-diamine
- 2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
- 109905-63-7
- Q27157226
- (S)-sebuthylazine
-
- Inchi： 1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m0/s1
- InChI Key： BZRUVKZGXNSXMB-LURJTMIESA-N
- SMILES： ClC1N=C(NCC)N=C(N=1)N[C@@H](C)CC
Computed Properties
- Exact Mass: 229.10968
- Monoisotopic Mass: 229.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 62.7A^2
Experimental Properties
- Density: 1.232
- Boiling Point: 380°C at 760 mmHg
- Flash Point: 183.6°C
- Refractive Index: 1.592
- PSA: 62.73
1,3,5-Triazine-2,4-diamine,6-chloro-N-ethyl-N'-(1-methylpropyl)-, (S)- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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