Name: Name:1-(azepane-1-carbonyl)-3-methyl-1H-imidazol-3-ium iodide
Brand: Angene
SKU: AG019QRM
Rating: 90 (10 reviews)

1-(azepane-1-carbonyl)-3-methyl-1H-imidazol-3-ium iodide

CAS No.:

1231958-25-0

Catalog Number:

AG019QRM

Molecular Formula:

C11H18IN3O

Molecular Weight:

335.1846

Catalog Number:

AG019QRM

Chemical Name:

1-(azepane-1-carbonyl)-3-methyl-1H-imidazol-3-ium iodide

CAS Number:

1231958-25-0

Molecular Formula:

C11H18IN3O

Molecular Weight:

335.1846

MDL Number:

MFCD11099757

IUPAC Name:

azepan-1-yl-(3-methylimidazol-3-ium-1-yl)methanone;iodide

InChI:

InChI=1S/C11H18N3O.HI/c1-12-8-9-14(10-12)11(15)13-6-4-2-3-5-7-13;/h8-10H,2-7H2,1H3;1H/q+1;/p-1

InChI Key:

TZHKJSAXUYBDIE-UHFFFAOYSA-M

SMILES:

C[n+]1ccn(c1)C(=O)N1CCCCCC1.[I-]

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.189g/mol

Monoisotopic Mass:

335.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: