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89044-85-9 | 2-Azetidinone, 1-(3-aminopropyl)-4-phenyl-
CAS No: 89044-85-9 Catalog No: AG0043B2 MDL No:
Product Description
Catalog Number:
AG0043B2
Chemical Name:
2-Azetidinone, 1-(3-aminopropyl)-4-phenyl-
CAS Number:
89044-85-9
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
1-(3-aminopropyl)-4-phenylazetidin-2-one
InChI:
InChI=1S/C12H16N2O/c13-7-4-8-14-11(9-12(14)15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2
InChI Key:
PUIRGAKORGTKNK-UHFFFAOYSA-N
SMILES:
NCCCN1C(=O)CC1c1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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