Cas no 31084-17-0 (Propanoic acid,3-(dipropylamino)-2-methyl-, methyl ester)
31084-17-0 structure
Product Name:Propanoic acid,3-(dipropylamino)-2-methyl-, methyl ester
CAS No:31084-17-0
MF:C11H23NO2
MW:201.305823564529
CID:314858
PubChem ID:3015534
Update Time:2025-04-19
Propanoic acid,3-(dipropylamino)-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(dipropylamino)-2-methyl-, methyl ester
- methyl 3-(dipropylamino)-2-methylpropanoate
- Methyl 3-(dipropylamino)-2-methylpropionate
- AKOS008962725
- 31084-17-0
- EINECS 250-457-7
- DTXSID80953186
- NS00049966
-
- Inchi： 1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3
- InChI Key： VGUXUBAHVQOINX-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)CN(CCC)CCC)=O
Computed Properties
- Exact Mass: 201.17299
- Monoisotopic Mass: 201.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 0.909
- Boiling Point: 249.7°C at 760 mmHg
- Flash Point: 78.5°C
- Refractive Index: 1.441
- PSA: 29.54
Propanoic acid,3-(dipropylamino)-2-methyl-, methyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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