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100482-78-8 | 2-Oxazolamine, 4,5-dihydro-N-(1-methyl-3-phenylpropyl)-
CAS No: 100482-78-8 Catalog No: AG00023U MDL No:
Product Description
Catalog Number:
AG00023U
Chemical Name:
2-Oxazolamine, 4,5-dihydro-N-(1-methyl-3-phenylpropyl)-
CAS Number:
100482-78-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
InChI:
InChI=1S/C13H18N2O/c1-11(15-13-14-9-10-16-13)7-8-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,15)
InChI Key:
LMZBCBIEZJGBHU-UHFFFAOYSA-N
SMILES:
CC(NC1=NCCO1)CCc1ccccc1
NSC Number:
162350
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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