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127042-69-7 | 9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-
CAS No: 127042-69-7 Catalog No: AG000WM6 MDL No:
Product Description
Catalog Number:
AG000WM6
Chemical Name:
9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-
CAS Number:
127042-69-7
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
1-phenyl-9H-pyrido[3,4-b]indol-6-amine
InChI:
InChI=1S/C17H13N3/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11/h1-10,20H,18H2
InChI Key:
JPFQINVOSKUDHH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c1ccnc(c1[nH]2)c1ccccc1
NSC Number:
620317
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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