Cas no 174849-23-1 ((S)-2-hydroxy-2,4-dimethyl-pentanenitrile)
174849-23-1 structure
Product Name:(S)-2-hydroxy-2,4-dimethyl-pentanenitrile
CAS No:174849-23-1
MF:C7H13NO
MW:127.184221982956
CID:2190133
PubChem ID:10997045
Update Time:2025-04-21
(S)-2-hydroxy-2,4-dimethyl-pentanenitrile Chemical and Physical Properties
Names and Identifiers
-
- (S)-2-hydroxy-2,4-dimethyl-pentanenitrile
- (2S)-2-Hydroxy-2,4-dimethylpentanenitrile
- (S)-2-hydroxy-2,4-dimethylpentanenitrile
- 174849-23-1
- CHEBI:197348
- DB-290261
- AKOS006308640
- SCHEMBL5697169
- DWZKXPAWEWMLEJ-ZETCQYMHSA-N
-
- Inchi： 1S/C7H13NO/c1-6(2)4-7(3,9)5-8/h6,9H,4H2,1-3H3/t7-/m0/s1
- InChI Key： DWZKXPAWEWMLEJ-ZETCQYMHSA-N
- SMILES： O[C@@](C#N)(C)CC(C)C
Computed Properties
- Exact Mass: 127.099714038Da
- Monoisotopic Mass: 127.099714038Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 133
- 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: 1.2
- Topological Polar Surface Area: 44?2
(S)-2-hydroxy-2,4-dimethyl-pentanenitrile Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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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
174849-23-1 ((S)-2-hydroxy-2,4-dimethyl-pentanenitrile) Related Products
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