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Home > Imidazoles > 121771-84-4
121771-84-4 | 3H-Imidazo[2,1-b][3]benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1)
CAS No: 121771-84-4 Catalog No: AG0015XF MDL No:
Product Description
Catalog Number:
AG0015XF
Chemical Name:
3H-Imidazo[2,1-b][3]benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1)
CAS Number:
121771-84-4
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
IUPAC Name:
sulfuric acid;3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
InChI:
InChI=1S/C12H14N2.H2O4S/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1;1-5(2,3)4/h1-4H,5-9H2;(H2,1,2,3,4)
InChI Key:
NBCVSDLMPWFYBF-UHFFFAOYSA-N
SMILES:
C1N=C2N(C1)CCc1c(C2)cccc1.OS(=O)(=O)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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