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Home > Indoles and Oxindole > 135711-18-1
135711-18-1 | (R)-2-(Isoindolin-2-yl)butan-1-ol
CAS No: 135711-18-1 Catalog No: AG007NJK MDL No:MFCD08059581
Product Description
Catalog Number:
AG007NJK
Chemical Name:
(R)-2-(Isoindolin-2-yl)butan-1-ol
CAS Number:
135711-18-1
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD08059581
IUPAC Name:
(2R)-2-(1,3-dihydroisoindol-2-yl)butan-1-ol
InChI:
InChI=1S/C12H17NO/c1-2-12(9-14)13-7-10-5-3-4-6-11(10)8-13/h3-6,12,14H,2,7-9H2,1H3/t12-/m1/s1
InChI Key:
OGAAQVONYOTBGB-GFCCVEGCSA-N
SMILES:
CC[C@@H](N1Cc2c(C1)cccc2)CO
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro antimycobacterial activity of compounds derived from (R)- and (S)-2-amino-1-butanol - The crucial role of the configuration. | European journal of medicinal chemistry 20120201 |
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