1-Dodecylpyridinium chloride hydrate

Catalog Number

ACM207234024-1

CAS

207234-02-4

Structure

IUPAC Name

1-dodecylpyridin-1-ium;chloride;hydrate

Molecular Weight

301.89

Molecular Formula

C17H32ClNO

Canonical SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]

InChI

InChI=1S/C17H30N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H;1H2/q+1;;/p-1

InChI Key

BDGGUWSWAKGEGH-UHFFFAOYSA-M

Melting Point

88-90 ºC

Purity

0.98

Appearance

White crystalline solid

• Catalog Number: ACM207234024-1
• CAS: 207234-02-4
• IUPAC Name: 1-dodecylpyridin-1-ium;chloride;hydrate
• Molecular Weight: 301.89
• Molecular Formula: C17H32ClNO
• Canonical SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
• InChI: InChI=1S/C17H30N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H;1H2/q+1;;/p-1
• InChI Key: BDGGUWSWAKGEGH-UHFFFAOYSA-M
• Melting Point: 88-90 ºC
• Purity: 0.98
• Appearance: White crystalline solid