Cas no 33106-77-3 (Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride)
33106-77-3 structure
Product Name:Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride
CAS No:33106-77-3
MF:C44H84ClN
MW:662.597473144531
CID:292898
PubChem ID:13879754
Update Time:2025-04-19
Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride
- benzyl-methyl-dioctadecylazanium,chloride
- 33106-77-3
- Q27275373
- N-Benzyl-N-methyl-N-octadecyloctadecan-1-aminium chloride
- UNII-CA3B7HQ34L
- CA3B7HQ34L
- Benzyldistearylmethylammonium chloride
- Ammonium, benzylmethyldioctadecyl-, chloride
- Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride (1:1)
- Distearyl methyl benzyl ammonium chloride
- SCHEMBL1485802
- Dioctadecyl-N-benzyl-N-methylammoniumchlorid
- DTXSID60551801
- benzyl-methyl-dioctadecylazanium;chloride
- Dioctadecylmethylbenzylammonium chloride
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- Inchi： 1S/C44H84N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-45(3,43-44-39-35-34-36-40-44)42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h34-36,39-40H,4-33,37-38,41-43H2,1-3H3;1H/q+1;/p-1
- InChI Key： JLSSEXVNHGDLNN-UHFFFAOYSA-M
- SMILES： [Cl-].[N+](C)(CC1C=CC=CC=1)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 576.972
- Monoisotopic Mass: 661.6292294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 46
- Rotatable Bond Count: 36
- Complexity: 513
- 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
- PSA: 0
Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
33106-77-3 (Benzenemethanaminium, N-methyl-N,N-dioctadecyl-, chloride) Related Products
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