HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-Nitro-5-(octadecyloxy)benzenamine

HCID 19388917
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCOc1cc(N)cc([N+](=O)[O-])c1
InChIKey
YVZZXXDAILZJIX-UHFFFAOYSA-N
Molecular formula
C24H42N2O3
Average molar mass
406.6 g/mol

Names & identifiers

Preferred name
3-Nitro-5-(octadecyloxy)benzenamine
IUPAC
3-nitro-5-octadecoxyaniline

Names & synonyms

SCHEMBL9168384YVZZXXDAILZJIX-UHFFFAOYSA-N3-nitro-5-(octadecyloxy)benzenamine

Database identifiers

PubChem CID
19388917

Properties

Computed structural properties

XLogP
9.9
Topological polar surface area
81.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
18
Heavy atoms
29
Formal charge
0
Complexity
387

Related reactions

6 records
New reaction record
HRID 157761 reaction equation
HRID 157761As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 305296 reaction equation
HRID 305296As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1110275 reaction equation
HRID 1110275As productuspto-grants-1994_06
HRID 1110278 reaction equation
HRID 1110278As reactantuspto-grants-1994_06
HRID 1757831 reaction equation
HRID 1757831As productuspto-grants-1995_08
HRID 1757834 reaction equation
HRID 1757834As reactantuspto-grants-1995_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes