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1599362-97-6 | 3-methyl-1-[(quinolin-8-yl)methyl]urea
CAS No: 1599362-97-6 Catalog No: AG01BVKE MDL No:MFCD30476452
Product Description
Catalog Number:
AG01BVKE
Chemical Name:
3-methyl-1-[(quinolin-8-yl)methyl]urea
CAS Number:
1599362-97-6
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD30476452
IUPAC Name:
1-methyl-3-(quinolin-8-ylmethyl)urea
InChI:
InChI=1S/C12H13N3O/c1-13-12(16)15-8-10-5-2-4-9-6-3-7-14-11(9)10/h2-7H,8H2,1H3,(H2,13,15,16)
InChI Key:
WELZTXKYFRHFGB-UHFFFAOYSA-N
SMILES:
CNC(=O)NCc1cccc2c1nccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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