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137616-43-4 | Urea, N,N,N'-trimethyl-N'-[1-methyl-4-(1-pyrrolidinyl)-2-butyn-1-yl]-
CAS No: 137616-43-4 Catalog No: AG0013ND MDL No:
Product Description
Catalog Number:
AG0013ND
Chemical Name:
Urea, N,N,N'-trimethyl-N'-[1-methyl-4-(1-pyrrolidinyl)-2-butyn-1-yl]-
CAS Number:
137616-43-4
Molecular Formula:
C13H23N3O
Molecular Weight:
237.3412
IUPAC Name:
1,1,3-trimethyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)urea
InChI:
InChI=1S/C13H23N3O/c1-12(15(4)13(17)14(2)3)8-7-11-16-9-5-6-10-16/h12H,5-6,9-11H2,1-4H3
InChI Key:
XOTKQKULKMCIHW-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)N(C)C)C)C#CCN1CCCC1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.347g/mol
Monoisotopic Mass:
237.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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