200,000+ products from a single source!
sales@angenechem.com
1255942-06-3 | 1-Propanone, 3-amino-1-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-
CAS No: 1255942-06-3 Catalog No: AG000NX0 MDL No:MFCD22380759
Product Description
Catalog Number:
AG000NX0
Chemical Name:
1-Propanone, 3-amino-1-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-
CAS Number:
1255942-06-3
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD22380759
IUPAC Name:
3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one
InChI:
InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2
InChI Key:
OCCYFTDHSHTFER-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.