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162956-97-0 | 1-Butanol, 2-(dibutylamino)-, (2S)-
CAS No: 162956-97-0 Catalog No: AG001TKJ MDL No:
Product Description
Catalog Number:
AG001TKJ
Chemical Name:
1-Butanol, 2-(dibutylamino)-, (2S)-
CAS Number:
162956-97-0
Molecular Formula:
C12H27NO
Molecular Weight:
201.3489
IUPAC Name:
(2S)-2-(dibutylamino)butan-1-ol
InChI:
InChI=1S/C12H27NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h12,14H,4-11H2,1-3H3/t12-/m0/s1
InChI Key:
NBVLQSNKFPIEDW-LBPRGKRZSA-N
SMILES:
CCCCN([C@H](CO)CC)CCCC
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.209g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.354g/mol
Monoisotopic Mass:
201.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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