Cas no 51591-89-0 ((1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol)
![(1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol structure](https://ossimg.kuujia.com/scimg/52000/51591-89-0x500.png)
51591-89-0 structure
Product Name:(1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol
CAS No:51591-89-0
MF:C10H15NO4S
MW:245.2954018116
CID:375638
Update Time:2023-08-02
(1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-amino-1-[4-(methylsulfonyl)phenyl]-, [S-(R*,R*)]- (9CI)
- (S(R*,R*))-2-Amino-1-(p-(methylsulphonyl)phenyl)propane-1,3-diol
- [S(R*,R*)]-2-amino-1-[p-(methylsulphonyl)phenyl]propane-1,3-diol
- MMM7BB45PL
- 2-Amino-1-(4-(methylsulfonyl)phenyl)propane-1,3-diol, (1S,2S)-
- (1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol
-
- Inchi： 1S/C10H15NO4S/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/t9-,10-/m0/s1
- InChI Key： CIAZEFCFQFQJLB-UWVGGRQHSA-N
- SMILES： S(C)(C1C=CC(=CC=1)[C@@H]([C@H](CO)N)O)(=O)=O
Computed Properties
- Exact Mass: 245.072179
- Monoisotopic Mass: 245.072179
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 109
Experimental Properties
- Density: 1.36
- Boiling Point: 533.8°Cat760mmHg
- Flash Point: 276.6°C
(1S,2S)-2-Amino-1-[4-(methylsulfonyl)phenyl]-1,3-propanediol Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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