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1152512-79-2 | Benzenamine, 3-(1H-indol-1-ylmethyl)-
CAS No: 1152512-79-2 Catalog No: AG000GI2 MDL No:
Product Description
Catalog Number:
AG000GI2
Chemical Name:
Benzenamine, 3-(1H-indol-1-ylmethyl)-
CAS Number:
1152512-79-2
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
3-(indol-1-ylmethyl)aniline
InChI:
InChI=1S/C15H14N2/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-10H,11,16H2
InChI Key:
MOFHPRLYCBYTIJ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1ccc2c1cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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