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879981-94-9 | (S)-1-((1,3,2-Dioxaborolan-2-yl)oxy)-3-methyl-1,1-diphenylbutan-2-amine
CAS No: 879981-94-9 Catalog No: AG004NYH MDL No:MFCD22199760
Product Description
Catalog Number:
AG004NYH
Chemical Name:
(S)-1-((1,3,2-Dioxaborolan-2-yl)oxy)-3-methyl-1,1-diphenylbutan-2-amine
CAS Number:
879981-94-9
Molecular Formula:
C19H24BNO3
Molecular Weight:
325.2098
MDL Number:
MFCD22199760
IUPAC Name:
(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine
InChI:
InChI=1S/C19H24BNO3/c1-15(2)18(21)19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)24-20-22-13-14-23-20/h3-12,15,18H,13-14,21H2,1-2H3/t18-/m0/s1
InChI Key:
YJZIPVDPYPQAMN-SFHVURJKSA-N
SMILES:
N[C@H](C(c1ccccc1)(c1ccccc1)OB1OCCO1)C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.215g/mol
Monoisotopic Mass:
325.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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