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1217-80-7 | 1H-Indole-3-ethanamine, 2-phenyl-
CAS No: 1217-80-7 Catalog No: AG0015MF MDL No:MFCD06212953
Product Description
Catalog Number:
AG0015MF
Chemical Name:
1H-Indole-3-ethanamine, 2-phenyl-
CAS Number:
1217-80-7
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
MDL Number:
MFCD06212953
IUPAC Name:
2-(2-phenyl-1H-indol-3-yl)ethanamine
InChI:
InChI=1S/C16H16N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10-11,17H2
InChI Key:
HQJIMWXWTRWIAL-UHFFFAOYSA-N
SMILES:
NCCc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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