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100447-51-6 | 2-Oxazolamine, 4,5-dihydro-N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
CAS No: 100447-51-6 Catalog No: AG000204 MDL No:
Product Description
Catalog Number:
AG000204
Chemical Name:
2-Oxazolamine, 4,5-dihydro-N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
CAS Number:
100447-51-6
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
InChI:
InChI=1S/C14H18N2O/c1-3-7-12-11(5-1)6-2-4-8-13(12)16-14-15-9-10-17-14/h1,3,5,7,13H,2,4,6,8-10H2,(H,15,16)
InChI Key:
GQWZJFITVXRTKC-UHFFFAOYSA-N
SMILES:
C1CCc2c(C(C1)NC1=NCCO1)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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