Cas no 89729-78-2 (1,3-Propanediol, 2-(4-amino-2-methylphenyl)-)
89729-78-2 structure
Product Name:1,3-Propanediol, 2-(4-amino-2-methylphenyl)-
CAS No:89729-78-2
MF:C10H15NO2
MW:181.231602907181
CID:591251
PubChem ID:20271592
Update Time:2025-04-19
1,3-Propanediol, 2-(4-amino-2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2-(4-amino-2-methylphenyl)-
- 2-(4-amino-2-methylphenyl)propane-1,3-diol
- SCHEMBL10806066
- 89729-78-2
- DTXSID40604440
- 2-(4-Amino-2-methylphenyl)-1,3-propanediol
- HOJIBSGTGYEHGS-UHFFFAOYSA-N
-
- Inchi： 1S/C10H15NO2/c1-7-4-9(11)2-3-10(7)8(5-12)6-13/h2-4,8,12-13H,5-6,11H2,1H3
- InChI Key： HOJIBSGTGYEHGS-UHFFFAOYSA-N
- SMILES： OCC(CO)C1C=CC(=CC=1C)N
Computed Properties
- Exact Mass: 181.110278721g/mol
- Monoisotopic Mass: 181.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 66.5?2
1,3-Propanediol, 2-(4-amino-2-methylphenyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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