Cas no 18686-58-3 (Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (-)-)
18686-58-3 structure
Product Name:Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (-)-
CAS No:18686-58-3
MF:C12H19NO3
MW:225.284163713455
CID:96109
Update Time:2023-08-03
Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (-)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-, (R)-
- (R)-colterol
- J6J4QY7D1L
- Colterol, (R)-
- N-t-butylnorepinephrine
- Q27281276
- 4-[(R)-2-(tert-Butylamino)-1-hydroxyethyl]-1,2-benzenediol
- Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (-)-
- 1,2-Benzenediol, 4-((1R)-2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-
- 1,2-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (R)-
-
- Inchi： 1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,11,13-16H,7H2,1-3H3/t11-/m0/s1
- InChI Key： PHSMOUBHYUFTDM-NSHDSACASA-N
- SMILES： O[C@H](C1C=CC(=C(C=1)O)O)CNC(C)(C)C
Computed Properties
- Exact Mass: 225.136
- Monoisotopic Mass: 225.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 215
- 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: -0.4
- Topological Polar Surface Area: 72.7
Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (-)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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