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840507-32-6 | 1,2-Hexanediol,3-[bis(phenylmethyl)amino]-5-methyl-, (2S,3S)-
CAS No: 840507-32-6 Catalog No: AG0050KS MDL No:
Product Description
Catalog Number:
AG0050KS
Chemical Name:
1,2-Hexanediol,3-[bis(phenylmethyl)amino]-5-methyl-, (2S,3S)-
CAS Number:
840507-32-6
Molecular Formula:
C21H29NO2
Molecular Weight:
327.4605
IUPAC Name:
(2S,3S)-3-(dibenzylamino)-5-methylhexane-1,2-diol
InChI:
InChI=1S/C21H29NO2/c1-17(2)13-20(21(24)16-23)22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20-21,23-24H,13-16H2,1-2H3/t20-,21+/m0/s1
InChI Key:
GVDYINZRNZQJFW-LEWJYISDSA-N
SMILES:
OC[C@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)CC(C)C)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.468g/mol
Monoisotopic Mass:
327.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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