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89221-78-3 | Carbamic acid, [4-(1,3-dimethyl-2-imidazolidinyl)phenyl]-, butyl ester
CAS No: 89221-78-3 Catalog No: AG0043LU MDL No:
Product Description
Catalog Number:
AG0043LU
Chemical Name:
Carbamic acid, [4-(1,3-dimethyl-2-imidazolidinyl)phenyl]-, butyl ester
CAS Number:
89221-78-3
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
butyl N-[4-(1,3-dimethylimidazolidin-2-yl)phenyl]carbamate
InChI:
InChI=1S/C16H25N3O2/c1-4-5-12-21-16(20)17-14-8-6-13(7-9-14)15-18(2)10-11-19(15)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,17,20)
InChI Key:
BRUFEDKPUUMUFL-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccc(cc1)C1N(C)CCN1C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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