Cas no 4431-54-3 ( )
structure
Product Name:
CAS No:4431-54-3
MF:C7H13NO3
MW:159.183022260666
CID:929421
PubChem ID:281625
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(Aminocarbonyl)-2-ethylbutyric acid
- 2-carbamoyl-2-ethylbutanoic acid
- 2,2-Diaethyl-malonamidsaeure
- 2,2-Diaethylmalonsaeuremonoamid
- 2,2-diethyl-malonamic acid
- 2-carbamoyl-2-ethyl-butanoic acid
- AC1L5USY
- AC1Q5ISL
- AR-1D9897
- Butanoic acid, 2-(aminocarbonyl)-2-ethyl-
- CTK1D6952
- Diethyl-malonsaeure-monoamid
- Malonamic acid, 2,2-diethyl-
- NSC134483
- DS-003979
- ZFQTUMHIWMHIFF-UHFFFAOYSA-N
- DTXSID10300048
- 2,2-Diethylmalonoic acid monoamide
- AKOS006295785
- 4431-54-3
- NSC-134483
- 2-(Aminocarbonyl)-2-ethylbutanoic acid #
- SCHEMBL8604881
- Butyric acid, 2-carbamoyl-2-ethyl-
-
-
- Inchi： 1S/C7H13NO3/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H2,8,9)(H,10,11)
- InChI Key： ZFQTUMHIWMHIFF-UHFFFAOYSA-N
- SMILES： OC(C(C(N)=O)(CC)CC)=O
Computed Properties
- Exact Mass: 159.08959
- Monoisotopic Mass: 159.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 173
- 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: 0.5
- Topological Polar Surface Area: 80.4?2
Experimental Properties
- Density: 1.14
- Boiling Point: 349°C at 760 mmHg
- Flash Point: 164.9°C
- Refractive Index: 1.479
- PSA: 80.39
Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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