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115609-61-5 | Benzeneethanol, 4-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, 1-acetate
CAS No: 115609-61-5 Catalog No: AG000G8D MDL No:
Product Description
Catalog Number:
AG000G8D
Chemical Name:
Benzeneethanol, 4-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, 1-acetate
CAS Number:
115609-61-5
Molecular Formula:
C17H27NO4
Molecular Weight:
309.4006
IUPAC Name:
2-[4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethyl acetate
InChI:
InChI=1S/C17H27NO4/c1-13(19)21-10-9-14-5-7-16(8-6-14)22-12-15(20)11-18-17(2,3)4/h5-8,15,18,20H,9-12H2,1-4H3/t15-/m0/s1
InChI Key:
YSAYHFMJDLPBGB-HNNXBMFYSA-N
SMILES:
O[C@H](COc1ccc(cc1)CCOC(=O)C)CNC(C)(C)C
UNII:
5TET8Z0SGK
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.406g/mol
Monoisotopic Mass:
309.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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