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Reference substances

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Reference substance information

IUPAC name:
Amines, C16-18 and C18-unsatd. alkyldimethyl, hydrochlorides

Molecular and structural information

Molecular formula:
Representative molecular formula of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride:
C18 amine hydrochloride: C18H39CL1N1
Molecular weight:
ca. 304.97
SMILES notation:
Representative SMILES of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride: [Cl-].CCCCCCCCCCCCCCCC[NH+](C)C
C18 amine hydrochloride: [Cl-].CCCCCCCCCCCCCCCCCC[NH+](C)C
C18-unsatd. amine hydrochloride: [Cl-].CCCCCC\C=C\CCCCCCCC[NH+](C)C
InChl:
Representative InChI of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride: InChI=1S/C18H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
C18 amine hydrochloride:InChI=1S/C20H43N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;/h4-20H2,1-3H3;1H
C18-unsatd. amine hydrochloride: InChI=1S/C18H37N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h9-10H,4-8,11-18H2,1-3H3;1H/b10-9+;

Structural formula:
Chemical structure