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ELLANOVALABS A3-4252

CAS No.:
926196-01-2
Catalog Number:
AG01DWV0
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG01DWV0
Chemical Name:
ELLANOVALABS A3-4252
CAS Number:
926196-01-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD09041636
IUPAC Name:
2-amino-1-(2-methyl-1H-indol-3-yl)ethanol
InChI:
InChI=1S/C11H14N2O/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,10,13-14H,6,12H2,1H3
InChI Key:
HTLBSDNZNLCRSW-UHFFFAOYSA-N
SMILES:
NCC(c1c(C)[nH]c2c1cccc2)O
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties