Cas no 195251-34-4 (b-Alanine, N-acetyl-N-butyl-)
b-Alanine, N-acetyl-N-butyl- structure
Product Name:b-Alanine, N-acetyl-N-butyl-
CAS No:195251-34-4
MF:C9H17NO3
MW:187.236182928085
CID:225754
PubChem ID:189750
Update Time:2025-04-19
b-Alanine, N-acetyl-N-butyl- Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine, N-acetyl-N-butyl-
- beta-Alanine, N-acetyl-N-butyl-
- .beta.-Alanine, N-acetyl-N-butyl-
- N-ACETYL-N-BUTYL-.BETA.-ALANINE
- N-Acetyl-N-butyl-beta-alanine
- Q27271117
- NS00126355
- UNII-8W99823D6I
- 8W99823D6I
- 195251-34-4
- 3-(Butylacetylamino)propionic acid
- DTXSID3041457
- SCHEMBL101699
- BUTYLACETYLAMINOPROPIONIC ACID
-
- Inchi： 1S/C9H17NO3/c1-3-4-6-10(8(2)11)7-5-9(12)13/h3-7H2,1-2H3,(H,12,13)
- InChI Key： WMAWRVIWKUQQNZ-UHFFFAOYSA-N
- SMILES： O=C(C)N(CCC(=O)O)CCCC
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: 6
- Complexity: 180
- 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: 57.6?2
Experimental Properties
- PSA: 57.61
b-Alanine, N-acetyl-N-butyl- Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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