Cas no 114812-35-0 (2-Pyrrolidinecarboxamide,1-propyl-, (2S)-)
114812-35-0 structure
Product Name:2-Pyrrolidinecarboxamide,1-propyl-, (2S)-
CAS No:114812-35-0
MF:C8H16N2O
MW:156.225441932678
CID:130480
PubChem ID:14890807
Update Time:2025-04-19
2-Pyrrolidinecarboxamide,1-propyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarboxamide,1-propyl-, (2S)-
- 2-Pyrrolidinecarboxamide,1-propyl-,(S)-(9CI)
- L-m-Octopamine
- Norphenylephedrin
- (2S)-1-propylpyrrolidine-2-carboxamide
- (S)-1-Propylpyrrolidine-2-carboxamide
- 114812-35-0
- SCHEMBL3289140
-
- Inchi: 1S/C8H16N2O/c1-2-5-10-6-3-4-7(10)8(9)11/h7H,2-6H2,1H3,(H2,9,11)/t7-/m0/s1
- InChI Key: GFSPQSVWDMEDQH-ZETCQYMHSA-N
- SMILES: O=C([C@@H]1CCCN1CCC)N
Computed Properties
- Exact Mass: 156.12600
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.33000
- LogP: 0.98430
2-Pyrrolidinecarboxamide,1-propyl-, (2S)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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