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1453-97-0 | 1H-Indole-3-methanamine, N,N-dimethyl-5-(phenylmethoxy)-
CAS No: 1453-97-0 Catalog No: AG001KSP MDL No:MFCD00005631
Product Description
Catalog Number:
AG001KSP
Chemical Name:
1H-Indole-3-methanamine, N,N-dimethyl-5-(phenylmethoxy)-
CAS Number:
1453-97-0
Molecular Formula:
C18H20N2O
Molecular Weight:
280.3642
MDL Number:
MFCD00005631
IUPAC Name:
N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
InChI:
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChI Key:
POTVAILTNPOQJH-UHFFFAOYSA-N
SMILES:
CN(Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)C
EC Number:
215-927-8
NSC Number:
17819
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.371g/mol
Monoisotopic Mass:
280.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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