Cas no 651734-92-8 (2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)-)
![2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)- structure](https://ossimg.kuujia.com/scimg/652000/651734-92-8x500.png)
651734-92-8 structure
Product Name:2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)-
CAS No:651734-92-8
MF:C11H17NO2
MW:195.258183240891
CID:403784
PubChem ID:69030277
Update Time:2025-04-19
2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)-
- (2R,3R)-1-(benzylamino)butane-2,3-diol
- QJSYHOOZISIAMO-MWLCHTKSSA-N
- DTXSID70739557
- 651734-92-8
- SCHEMBL4403903
- (2R,3R)-1-Benzylamino-butane-2,3-diol
-
- Inchi： 1S/C11H17NO2/c1-9(13)11(14)8-12-7-10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11-/m1/s1
- InChI Key： QJSYHOOZISIAMO-MWLCHTKSSA-N
- SMILES： O[C@@H]([C@@H](C)O)CNCC1C=CC=CC=1
Computed Properties
- Exact Mass: 195.12601
- Monoisotopic Mass: 195.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 146
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 52.5?2
Experimental Properties
- PSA: 52.49
2,3-Butanediol, 1-[(phenylmethyl)amino]-, (2R,3R)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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