Cas no 219724-47-7 (Propanamide, 3-(acetylamino)-)
Propanamide, 3-(acetylamino)- structure
Product Name:Propanamide, 3-(acetylamino)-
CAS No:219724-47-7
MF:C5H10N2O2
MW:130.145101070404
CID:1405054
PubChem ID:21238874
Update Time:2025-04-20
Propanamide, 3-(acetylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide, 3-(acetylamino)-
- 3-acetamidopropanamide
- N~3~-Acetyl-beta-alaninamide
- 3-(Acetylamino)propanamide
- AKOS003615917
- DTXSID80611537
- SCHEMBL751437
- Ac-beta-Ala-NH2
- N-Acetyl-beta-alanine amide
- 219724-47-7
-
- Inchi： 1S/C5H10N2O2/c1-4(8)7-3-2-5(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8)
- InChI Key： BHPBDSRHYYCQQO-UHFFFAOYSA-N
- SMILES： O=C(CCNC(C)=O)N
Computed Properties
- Exact Mass: 130.0743
- Monoisotopic Mass: 130.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 122
- 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: -1.6
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- PSA: 72.19
Propanamide, 3-(acetylamino)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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