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74885-64-6 | 1H-Indole-5-carbonitrile,3-(2-aminoethyl)-2-methyl-
CAS No: 74885-64-6 Catalog No: AG005GM7 MDL No:MFCD02656503
Product Description
Catalog Number:
AG005GM7
Chemical Name:
1H-Indole-5-carbonitrile,3-(2-aminoethyl)-2-methyl-
CAS Number:
74885-64-6
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD02656503
IUPAC Name:
3-(2-aminoethyl)-2-methyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C12H13N3/c1-8-10(4-5-13)11-6-9(7-14)2-3-12(11)15-8/h2-3,6,15H,4-5,13H2,1H3
InChI Key:
BHBPLYYWOXKDTI-UHFFFAOYSA-N
SMILES:
NCCc1c(C)[nH]c2c1cc(C#N)cc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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