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100836-78-0 | Carbamic acid, (2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-, methyl ester (9CI)
CAS No: 100836-78-0 Catalog No: AG0002YY MDL No:
Product Description
Catalog Number:
AG0002YY
Chemical Name:
Carbamic acid, (2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-, methyl ester (9CI)
CAS Number:
100836-78-0
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
methyl N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate
InChI:
InChI=1S/C14H18N2O2/c1-18-14(17)15-12-8-10-4-2-6-16-7-3-5-11(9-12)13(10)16/h8-9H,2-7H2,1H3,(H,15,17)
InChI Key:
VIGWHXBGCBEOBU-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cc2CCCN3c2c(c1)CCC3
NSC Number:
160014
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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