Cas no 106754-06-7 (5-(butylamino)-5-oxopentanoic Acid)
106754-06-7 structure
Product Name:5-(butylamino)-5-oxopentanoic Acid
CAS No:106754-06-7
MF:C9H17NO3
MW:187.236182928085
CID:1184158
PubChem ID:5253295
Update Time:2025-04-20
5-(butylamino)-5-oxopentanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(butylamino)-5-oxopentanoic Acid
- MCULE-9110065966
- AKOS005402966
- N-butylglutaramic acid
- AC1NQR6C
- Pentanoic acid, 5-(butylamino)-5-oxo-
- CTK0G3241
- ACMC-20maiz
- STK130452
- MCULE-9110065966; AKOS005402966; N-butylglutaramic acid; AC1NQR6C; Pentanoic acid, 5-(butylamino)-5-oxo-; CTK0G3241; ACMC-20maiz; STK130452;
- SCHEMBL7777467
- DTXSID10413465
- 106754-06-7
-
- Inchi： 1S/C9H17NO3/c1-2-3-7-10-8(11)5-4-6-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)
- InChI Key： MEWUUTJBMVVWDK-UHFFFAOYSA-N
- SMILES： O=C(CCCC(=O)O)NCCCC
Computed Properties
- Exact Mass: 187.12091
- Monoisotopic Mass: 187.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 168
- 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: 0.6
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
- LogP: 1.99790
5-(butylamino)-5-oxopentanoic Acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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