Cas no 93839-90-8 (1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-)
93839-90-8 structure
Product Name:1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-
CAS No:93839-90-8
MF:C10H16ClNO4S
MW:281.75634098053
CID:813274
PubChem ID:23726172
Update Time:2025-04-19
1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)-
- (1S,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol,hydrochloride
- DTXSID80917622
- L-(-)-Threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diol hydrochloride
- 2-Amino-1-[4-(methanesulfonyl)phenyl]propane-1,3-diol--hydrogen chloride (1/1)
- EINECS 298-863-3
- 93839-90-8
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- Inchi: 1S/C10H15NO4S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;/h2-5,9-10,12-13H,6,11H2,1H3;1H/t9-,10-;/m0./s1
- InChI Key: LDWKRIYCDUIKKD-IYPAPVHQSA-N
- SMILES: Cl.S(C)(C1C=CC(=CC=1)[C@@H]([C@H](CO)N)O)(=O)=O
Computed Properties
- Exact Mass: 281.0488569g/mol
- Monoisotopic Mass: 281.0488569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 109?2
1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, hydrochloride (1:1), (1S,2S)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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4. 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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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