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Home > Indoles and Oxindole > 10022-80-7
10022-80-7 | 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-(phenylmethyl)-
CAS No: 10022-80-7 Catalog No: AG0001AA MDL No:
Product Description
Catalog Number:
AG0001AA
Chemical Name:
3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-(phenylmethyl)-
CAS Number:
10022-80-7
Molecular Formula:
C18H16N2
Molecular Weight:
260.3330
IUPAC Name:
1-benzyl-4,9-dihydro-3H-pyrido[3,4-b]indole
InChI:
InChI=1S/C18H16N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h1-9,20H,10-12H2
InChI Key:
BHIXSMFFDRKSEX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.34g/mol
Monoisotopic Mass:
260.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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