Isophorone Diamine-d5 (Major) Dihydrochloride Salt (cis/trans Mixture)

Analyte Name

rac-Isophorone Diamine-d5 dihydrochloride

CAS Number

1794752-32-1

Molecular Formula

C10 D5 H17 N2 . 2 H Cl

Molecular Weight

248.25

Accurate Mass

247.163

SMILES

Cl.Cl.[2H]C([2H])([2H])C1(CN)CC(N)CC(C)(C)C1([2H])[2H]

InChI

InChI=1S/C10H22N2.2ClH/c1-9(2)4-8(12)5-10(3,6-9)7-11;;/h8H,4-7,11-12H2,1-3H3;2*1H/i3D3,6D2;;

IUPAC

3-(aminomethyl)-4,4-dideuterio-5,5-dimethyl-3-(trideuteriomethyl)cyclohexanamine;dihydrochloride

Unlabelled CAS Number

2855-13-2

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)