1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1)
CAS Registry Number®
206752-43-4
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CAS Name
1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1)Molecular Formula
C27H50N.Cl.H2OCite this Page
1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=206752-43-4 (retrieved ) (CAS RN: 206752-43-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H50N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H;1H2/q+1;;/p-1
InChIKey
InChIKey=MEAWKEQKQGFJHS-UHFFFAOYSA-M
SMILES
C([N+](CCCCCCCCCCCCCCCCCC)(C)C)C1=CC=CC=C1.[Cl-].O
Canonical SMILES
[Cl-].O.C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCCCCCCCCCCC
Other Names for this Substance
- 1-Octadecanaminium, N,N-dimethyl-N-(phenylmethyl)-, chloride, hydrate (1:1:1)
- Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride, monohydrate
