Cas no 114285-08-4 (Propyl,3-(acetylamino)-3-carboxy-2-methyl- (9CI))
114285-08-4 structure
Product Name:Propyl,3-(acetylamino)-3-carboxy-2-methyl- (9CI)
CAS No:114285-08-4
MF:C7H12NO3
MW:158.175082206726
CID:106231
PubChem ID:13819521
Update Time:2025-04-18
Propyl,3-(acetylamino)-3-carboxy-2-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propyl,3-(acetylamino)-3-carboxy-2-methyl- (9CI)
- Propyl, 3-(acetylamino)-3-carboxy-2-methyl- (9CI)
- 114285-08-4
-
- Inchi： 1S/C7H12NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1H2,2-3H3,(H,8,9)(H,10,11)
- InChI Key： NNBRJMSCBPRBFT-UHFFFAOYSA-N
- SMILES： OC(C(C([CH2])C)NC(C)=O)=O |^1:4|
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 158.08171824g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 52.54
Propyl,3-(acetylamino)-3-carboxy-2-methyl- (9CI) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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