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129170-43-0 | 1,3-Propanediol, 1-(4-aminophenyl)-2-(dimethylamino)-, (1S,2S)-
CAS No: 129170-43-0 Catalog No: AG000YXR MDL No:
Product Description
Catalog Number:
AG000YXR
Chemical Name:
1,3-Propanediol, 1-(4-aminophenyl)-2-(dimethylamino)-, (1S,2S)-
CAS Number:
129170-43-0
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
(1S,2S)-1-(4-aminophenyl)-2-(dimethylamino)propane-1,3-diol
InChI:
InChI=1S/C11H18N2O2/c1-13(2)10(7-14)11(15)8-3-5-9(12)6-4-8/h3-6,10-11,14-15H,7,12H2,1-2H3/t10-,11-/m0/s1
InChI Key:
QYGLNAUVXLNBNS-QWRGUYRKSA-N
SMILES:
OC[C@@H]([C@H](c1ccc(cc1)N)O)N(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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