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862201-36-3 | Benzenemethanamine, N,N-diethyl-4-(5-phenyl-1H-pyrrol-3-yl)-
CAS No: 862201-36-3 Catalog No: AG004SPY MDL No:
Product Description
Catalog Number:
AG004SPY
Chemical Name:
Benzenemethanamine, N,N-diethyl-4-(5-phenyl-1H-pyrrol-3-yl)-
CAS Number:
862201-36-3
Molecular Formula:
C21H24N2
Molecular Weight:
304.4287
IUPAC Name:
N-ethyl-N-[[4-(5-phenyl-1H-pyrrol-3-yl)phenyl]methyl]ethanamine
InChI:
InChI=1S/C21H24N2/c1-3-23(4-2)16-17-10-12-18(13-11-17)20-14-21(22-15-20)19-8-6-5-7-9-19/h5-15,22H,3-4,16H2,1-2H3
InChI Key:
CHQRCFHPHPHSFB-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)c1c[nH]c(c1)c1ccccc1)CC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.437g/mol
Monoisotopic Mass:
304.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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