Cas no 10174-67-1 (Propanoic acid, 3-(butylamino)-3-oxo-, ethyl ester)
10174-67-1 structure
Product Name:Propanoic acid, 3-(butylamino)-3-oxo-, ethyl ester
CAS No:10174-67-1
MF:C9H17NO3
MW:187.236182928085
CID:1130389
PubChem ID:12510524
Update Time:2025-04-20
Propanoic acid, 3-(butylamino)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-(butylamino)-3-oxo-, ethyl ester
- ethyl 3-(butylamino)-3-oxopropanoate
- DTXSID10500869
- SCHEMBL8346446
- 10174-67-1
-
- Inchi： 1S/C9H17NO3/c1-3-5-6-10-8(11)7-9(12)13-4-2/h3-7H2,1-2H3,(H,10,11)
- InChI Key： LZWMXXDLRRJZLU-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(NCCCC)=O)=O
Computed Properties
- Exact Mass: 187.12091
- Monoisotopic Mass: 187.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 168
- 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: 1.2
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Propanoic acid, 3-(butylamino)-3-oxo-, ethyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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