Cas no 16345-80-5 (Benzenemethanaminium,N-methyl-N,N-dioctyl-, chloride (1:1))
16345-80-5 structure
Product Name:Benzenemethanaminium,N-methyl-N,N-dioctyl-, chloride (1:1)
CAS No:16345-80-5
MF:C24H44ClN
MW:382.065866470337
CID:200561
PubChem ID:21149377
Update Time:2025-04-19
Benzenemethanaminium,N-methyl-N,N-dioctyl-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium,N-methyl-N,N-dioctyl-, chloride (1:1)
- benzylmethyldioctylammonium chloride
- N-octyl-N-(2-phenylethyl)octan-1-aminium chloride
- DTXSID70936827
- NS00054944
- EINECS 240-410-9
- benzyl-methyl-dioctylazanium;chloride
- 16345-80-5
- N-Benzyl-N-methyl-N-octyloctan-1-aminium chloride
- SCHEMBL3027039
-
- Inchi： 1S/C24H44N.ClH/c1-4-6-8-10-12-17-21-25(3,22-18-13-11-9-7-5-2)23-24-19-15-14-16-20-24;/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3;1H/q+1;/p-1
- InChI Key： RBTBCRUCRQHZLB-UHFFFAOYSA-M
- SMILES： [Cl-].[N+](C)(CC1C=CC=CC=1)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 336.972
- Monoisotopic Mass: 381.316
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 241
- 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: 0?2
Experimental Properties
- Boiling Point: 438.1°C at 760 mmHg
- Flash Point: 193.5°C
- PSA: 5.9
Benzenemethanaminium,N-methyl-N,N-dioctyl-, chloride (1:1) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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