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89003-53-2 | 2-Pyrrolidinone, 1-[(3-butenylamino)methyl]-
CAS No: 89003-53-2 Catalog No: AG0045L2 MDL No:
Product Description
Catalog Number:
AG0045L2
Chemical Name:
2-Pyrrolidinone, 1-[(3-butenylamino)methyl]-
CAS Number:
89003-53-2
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
IUPAC Name:
1-[(but-3-enylamino)methyl]pyrrolidin-2-one
InChI:
InChI=1S/C9H16N2O/c1-2-3-6-10-8-11-7-4-5-9(11)12/h2,10H,1,3-8H2
InChI Key:
HJDUPEJWTJVGGT-UHFFFAOYSA-N
SMILES:
C=CCCNCN1CCCC1=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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