Cas no 3151-45-9 (Butanoic acid,4-(dodecylamino)-4-oxo-)
3151-45-9 structure
Product Name:Butanoic acid,4-(dodecylamino)-4-oxo-
CAS No:3151-45-9
MF:C16H31NO3
MW:285.422245264053
CID:315547
PubChem ID:316047
Update Time:2025-04-19
Butanoic acid,4-(dodecylamino)-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-(dodecylamino)-4-oxo-
- 4-(dodecylamino)-4-oxobutanoic acid
- AC1L7T12
- N-Dodecylsuccinaminsaeure
- NSC243496
- DTXSID90311450
- SCHEMBL1001785
- AKOS003881016
- 3151-45-9
- NSC-243496
-
- Inchi： 1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
- InChI Key： OCXMYNMKUFUCKP-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)NCCCCCCCCCCCC
Computed Properties
- Exact Mass: 285.23053
- Monoisotopic Mass: 285.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 0.973
- Boiling Point: 470.7°C at 760 mmHg
- Flash Point: 238.5°C
- Refractive Index: 1.467
- PSA: 66.4
- LogP: 4.27920
Butanoic acid,4-(dodecylamino)-4-oxo- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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