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113802-20-3 | 2-Quinolinamine, 3-(1-aziridinylmethyl)-4-phenyl-
CAS No: 113802-20-3 Catalog No: AG0009R2 MDL No:
Product Description
Catalog Number:
AG0009R2
Chemical Name:
2-Quinolinamine, 3-(1-aziridinylmethyl)-4-phenyl-
CAS Number:
113802-20-3
Molecular Formula:
C18H17N3
Molecular Weight:
275.3477
IUPAC Name:
3-(aziridin-1-ylmethyl)-4-phenylquinolin-2-amine
InChI:
InChI=1S/C18H17N3/c19-18-15(12-21-10-11-21)17(13-6-2-1-3-7-13)14-8-4-5-9-16(14)20-18/h1-9H,10-12H2,(H2,19,20)
InChI Key:
QFFUDOWARPLWBI-UHFFFAOYSA-N
SMILES:
Nc1nc2ccccc2c(c1CN1CC1)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.355g/mol
Monoisotopic Mass:
275.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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