Cas no 5462-99-7 (1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate)
5462-99-7 structure
Product Name:1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate
CAS No:5462-99-7
MF:C22H46N2S
MW:370.679045200348
CID:354058
PubChem ID:223990
Update Time:2025-04-19
1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate
- trimethyl(octadecyl)azanium,thiocyanate
- SCHEMBL10709023
- DTXSID10279301
- 5462-99-7
- NSC12138
- NSC-12138
-
- Inchi： 1S/C21H46N.CHNS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;2-1-3/h5-21H2,1-4H3;3H/q+1;/p-1
- InChI Key： HQCHSIHXAUHUPV-UHFFFAOYSA-M
- SMILES： [S-]C#N.[N+](C)(C)(C)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 370.33848
- Monoisotopic Mass: 370.338
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 17
- Complexity: 236
- 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: 24.8?2
Experimental Properties
- PSA: 23.79
1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
5462-99-7 (1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate) Related Products
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