Cas no 6946-53-8 (2-[butyl(propanoyl)amino]ethyl propanoate)
![2-[butyl(propanoyl)amino]ethyl propanoate structure](https://ossimg.kuujia.com/scimg/7000/6946-53-8x500.png)
6946-53-8 structure
Product Name:2-[butyl(propanoyl)amino]ethyl propanoate
CAS No:6946-53-8
MF:C12H23NO3
MW:229.315923929214
CID:2626550
PubChem ID:245384
Update Time:2025-04-21
2-[butyl(propanoyl)amino]ethyl propanoate Chemical and Physical Properties
Names and Identifiers
-
- 2-[butyl(propanoyl)amino]ethyl propanoate
- DTXSID10989357
- NSC57333
- NSC-57333
- 6946-53-8
-
- Inchi： 1S/C12H23NO3/c1-4-7-8-13(11(14)5-2)9-10-16-12(15)6-3/h4-10H2,1-3H3
- InChI Key： CUKHPXLJKGYCGU-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CCN(C(CC)=O)CCCC
Computed Properties
- Exact Mass: 229.16789
- Monoisotopic Mass: 229.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 216
- 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: 1.8
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- Density: 0.978
- Boiling Point: 329.6°C at 760 mmHg
- Flash Point: 153.1°C
- Refractive Index: 1.451
- PSA: 46.61
- LogP: 1.97830
2-[butyl(propanoyl)amino]ethyl propanoate Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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