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-bis(3-ethoxypropyl)octan-1-amine

HCID 3085381
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
68442-23-9
Standard SMILES
CCCCCCCCN(CCCOCC)CCCOCC
InChIKey
LQFJXQYYUDJVSZ-UHFFFAOYSA-N
Molecular formula
C18H39NO2
Average molar mass
301.5 g/mol
Monoisotopic mass
301.29807949

Names & identifiers

Preferred name
N,N-bis(3-ethoxypropyl)octan-1-amine
IUPAC
N,N-bis(3-ethoxypropyl)octan-1-amine

Names & synonyms

SCHEMBL28324215

Database identifiers

CAS
68442-23-9
PubChem CID
3085381

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
17
Heavy atoms
21
Formal charge
0
Complexity
176

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 informationNames & identifiersPropertiesRelated reactionsCompound notes