Cas no 102571-25-5 (1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1))
102571-25-5 structure
Product Name:1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1)
CAS No:102571-25-5
MF:C24H44BrN3O
MW:470.52966594696
CID:164389
PubChem ID:59507
Update Time:2025-04-19
1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
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- 1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1)
- 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethyl-azanium bromide
- 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethylazanium,bromide
- 3-(p-Aminobenzamido)propyl-dimethyl-dodecyl ammonium bromide
- Ammonium, (3-(p-aminobenzamido)propyl)dimethyldodecyl-, bromide
- Ammonium, dimethyldodecyl(3-(p-aminobenzamido)propyl)-, bromide
- N-{3-[(4-aminobenzoyl)amino]propyl}-N,N-dimethyldodecan-1-aminium bromide
- 102571-25-5
- 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethylazanium;bromide
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- Inchi: 1S/C24H43N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-20-27(2,3)21-14-19-26-24(28)22-15-17-23(25)18-16-22;/h15-18H,4-14,19-21H2,1-3H3,(H2-,25,26,28);1H
- InChI Key: LCMNZUVKTRQDSF-UHFFFAOYSA-N
- SMILES: [Br-].O=C(C1C=CC(=CC=1)N)NCCC[N+](C)(C)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 424.9225
- Monoisotopic Mass: 469.266776
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 16
- Complexity: 389
- 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: 55.1
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 53.47
- LogP: 3.36210
1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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