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114125-60-9 | 2-Pyrrolidinone, 1-acetyl-3-[(dimethylamino)methyl]-5-propyl-
CAS No: 114125-60-9 Catalog No: AG000AN4 MDL No:
Product Description
Catalog Number:
AG000AN4
Chemical Name:
2-Pyrrolidinone, 1-acetyl-3-[(dimethylamino)methyl]-5-propyl-
CAS Number:
114125-60-9
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
1-acetyl-3-[(dimethylamino)methyl]-5-propylpyrrolidin-2-one
InChI:
InChI=1S/C12H22N2O2/c1-5-6-11-7-10(8-13(3)4)12(16)14(11)9(2)15/h10-11H,5-8H2,1-4H3
InChI Key:
VAJUIBSLQYTYLD-UHFFFAOYSA-N
SMILES:
CCCC1CC(C(=O)N1C(=O)C)CN(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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