HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

N,N'-Hexane-1,6-diyldistearamide

HCID 77755
New noteNew reactionRequest quotesPrint preview
Basic informationOverviewNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4112-25-8
Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
InChIKey
SLZWSYPJQQIDJB-UHFFFAOYSA-N
Molecular formula
C42H84N2O2
Average molar mass
649.1 g/mol
Monoisotopic mass
648.65327993

Overview

See also: Octadecanamide, N,N'-1,6-hexanediylbis- (annotation moved to).

Names & identifiers

Preferred name
N,N'-Hexane-1,6-diyldistearamide
IUPAC
N-[6-(octadecanoylamino)hexyl]octadecanamide
English name
N,N'-hexane-1,6-diyldistearamide
Molecular formula
C42H84N2O2
Molecular weight
649.13

Names & synonyms

N,N'-Hexane-1,6-diyldistearamideEINECS 223-897-2RefChem:821963223-897-24112-25-8hexamethylene bis-stearamideSCHEMBL123470DTXSID60961446SLZWSYPJQQIDJB-UHFFFAOYSA-NNS00048864N,N'-(Hexane-1,6-diyl)dioctadecanimidic acidHexamethylene Bis Stearamide
Show more names
N,N'-(1,6-Hexanediyl)bis(stearamide)Octadecanamide, N,N'-1,6-hexanediylbis-N,N'-(1,6-Hexanediyl)bis(octadecanamide)N,N'-Hexamethylenebis(stearic acid amide)

Database identifiers

CAS
4112-25-8
PubChem CID
77755
DTXSID
DTXSID60961446
EC Number
223-897-2
Nikkaji
J111.716E

Properties

Computed structural properties

XLogP
17.1
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
39
Heavy atoms
46
Formal charge
0
Complexity
556

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (441 of 441) of all reports.

Not Classified

Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes