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115651-77-9 | Benzenemethanol, α-[(1S)-1-(dibutylamino)ethyl]-, (αR)-
CAS No: 115651-77-9 Catalog No: AG000GOJ MDL No:
Product Description
Catalog Number:
AG000GOJ
Chemical Name:
Benzenemethanol, α-[(1S)-1-(dibutylamino)ethyl]-, (αR)-
CAS Number:
115651-77-9
Molecular Formula:
C17H29NO
Molecular Weight:
263.4183
IUPAC Name:
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
InChI:
InChI=1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m0/s1
InChI Key:
BRRGNOFUBFINSX-RDJZCZTQSA-N
SMILES:
CCCCN([C@H]([C@@H](c1ccccc1)O)C)CCCC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
263.225g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.425g/mol
Monoisotopic Mass:
263.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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