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1042649-49-9 | 3-butyl-1-(1,2,3,4-tetrahydroquinolin-8-yl)urea
CAS No: 1042649-49-9 Catalog No: AG01AHBD MDL No:MFCD11172086
Product Description
Catalog Number:
AG01AHBD
Chemical Name:
3-butyl-1-(1,2,3,4-tetrahydroquinolin-8-yl)urea
CAS Number:
1042649-49-9
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD11172086
IUPAC Name:
1-butyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
InChI:
InChI=1S/C14H21N3O/c1-2-3-9-16-14(18)17-12-8-4-6-11-7-5-10-15-13(11)12/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H2,16,17,18)
InChI Key:
GKVWUBRPGGYGBL-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1cccc2c1NCCC2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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