Cas no 72038-39-2 (Butanoic acid,4-[[2-(diethylamino)ethyl]amino]-4-oxo-)
72038-39-2 structure
Product Name:Butanoic acid,4-[[2-(diethylamino)ethyl]amino]-4-oxo-
CAS No:72038-39-2
MF:C10H20N2O3
MW:216.277402877808
CID:576633
PubChem ID:338375
Update Time:2025-04-19
Butanoic acid,4-[[2-(diethylamino)ethyl]amino]-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-[[2-(diethylamino)ethyl]amino]-4-oxo-
- 4-[[2-(diethylamino)ethyl]amino]-4-oxoButanoic acid
- 4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
- 4-(2-diethylaminoethylamino)-4-oxobutanoic acid
- 4-{[2-(diethylamino)ethyl]amino}-4-oxobutanoic acid
- AC1L7NPX
- MolPort-002-955-494
- NSC360409
- NSC-360409
- STK139052
- SCHEMBL93812
- 72038-39-2
- AKOS005404874
- NCGC00335945-01
- DTXSID30320501
- FT-0767277
- AB01328019-02
-
- Inchi: 1S/C10H20N2O3/c1-3-12(4-2)8-7-11-9(13)5-6-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)
- InChI Key: WQSADEBZBOMXSQ-UHFFFAOYSA-N
- SMILES: O=C(CCC(=O)O)NCCN(CC)CC
Computed Properties
- Exact Mass: 216.1475
- Monoisotopic Mass: 216.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 203
- 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: -2.5
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.64
- LogP: 0.70010
Butanoic acid,4-[[2-(diethylamino)ethyl]amino]-4-oxo- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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