Home Other Building Blocks 2-(4-methyl-1H-indol-3-yl)ethan-1-amine

2-(4-methyl-1H-indol-3-yl)ethan-1-amine

CAS No.:
62500-89-4
Catalog Number:
AG01AAN6
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG01AAN6
Chemical Name:
2-(4-methyl-1H-indol-3-yl)ethan-1-amine
CAS Number:
62500-89-4
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD03095160
IUPAC Name:
2-(4-methyl-1H-indol-3-yl)ethanamine
InChI:
InChI=1S/C11H14N2/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5-6,12H2,1H3
InChI Key:
QCUCAQZMPVIYAJ-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1c(C)ccc2
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Substrate specificity of strictosidine synthase. Bioorganic & medicinal chemistry letters 20060501
Properties