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189807-10-1 | 2-Pentanone, 5-[methyl[(1S)-1-phenylethyl]amino]-
CAS No: 189807-10-1 Catalog No: AG002DYQ MDL No:
Product Description
Catalog Number:
AG002DYQ
Chemical Name:
2-Pentanone, 5-[methyl[(1S)-1-phenylethyl]amino]-
CAS Number:
189807-10-1
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
5-[methyl-[(1S)-1-phenylethyl]amino]pentan-2-one
InChI:
InChI=1S/C14H21NO/c1-12(16)8-7-11-15(3)13(2)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11H2,1-3H3/t13-/m0/s1
InChI Key:
SZKPJHIGVQQUGR-ZDUSSCGKSA-N
SMILES:
C[C@@H](c1ccccc1)N(CCCC(=O)C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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