Cas no 5001-37-6 (Butanoic acid,2-[[(1-methylethylidene)amino]oxy]-)
![Butanoic acid,2-[[(1-methylethylidene)amino]oxy]- structure](https://ossimg.kuujia.com/scimg/5500/5001-37-6x500.png)
5001-37-6 structure
Product Name:Butanoic acid,2-[[(1-methylethylidene)amino]oxy]-
CAS No:5001-37-6
MF:C7H13NO3
MW:159.183022260666
CID:384707
PubChem ID:254272
Update Time:2025-04-19
Butanoic acid,2-[[(1-methylethylidene)amino]oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-[[(1-methylethylidene)amino]oxy]-
- 2-(propan-2-ylideneamino)oxybutanoic acid
- 2-[(propan-2-ylideneamino)oxy]butanoic acid
- 2-{[(1-methylethylidene)amino]oxy}-butanoic acid
- AC1L5PVX
- AC1Q5STP
- AG-K-77149
- AR-1D6332
- CTK4J1960
- NCIOpen2_000829
- NSC78396
- NSC 78396
- AKOS024331709
- 5001-37-6
- 2-ISOPROPYLIDENEAMINOOXY-BUTYRIC ACID
- Butyric acid, 2-[(isopropylideneamino)oxy]-
- DTXSID00291815
- NSC-78396
- SCHEMBL15631239
-
- Inchi： 1S/C7H13NO3/c1-4-6(7(9)10)11-8-5(2)3/h6H,4H2,1-3H3,(H,9,10)
- InChI Key： BGKAMYFJKFYFAJ-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)CC)/N=C(\C)/C
Computed Properties
- Exact Mass: 159.08959
- Monoisotopic Mass: 159.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.89
- LogP: 1.26200
Butanoic acid,2-[[(1-methylethylidene)amino]oxy]- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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