Home Nitriles 1H-Indole-5-carbonitrile, 3-(4-aminobutyl)-

1H-Indole-5-carbonitrile, 3-(4-aminobutyl)-

CAS No.:
143612-85-5
Catalog Number:
AG007JR9
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
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Product Description
Catalog Number:
AG007JR9
Chemical Name:
1H-Indole-5-carbonitrile, 3-(4-aminobutyl)-
CAS Number:
143612-85-5
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
MDL Number:
MFCD20483370
IUPAC Name:
3-(4-aminobutyl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C13H15N3/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6,14H2
InChI Key:
SEVLXUBQTKDVRL-UHFFFAOYSA-N
SMILES:
NCCCCc1c[nH]c2c1cc(cc2)C#N
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties