4-Octadecylaniline

HCID 3563365

Notes Reactions

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Basic information

CAS: 114235-67-5
Standard SMILES: CCCCCCCCCCCCCCCCCCc1ccc(N)cc1
InChIKey: CCRTYBGROAGVGK-UHFFFAOYSA-N
Molecular formula: C24H43N
Average molar mass: 345.6 g/mol
Monoisotopic mass: 345.33955038

Names & identifiers

Preferred name: 4-Octadecylaniline
IUPAC: 4-octadecylaniline
English name: 4-OCTADECYLANILINE 97
Molecular formula: C24H43N
Molecular weight: 345.6

Names & synonyms

4-Octadecylaniline114235-67-5DTXSID10393672RefChem:295169DTXCID003445324-n-octadecylaniline4-OCTADECYLANILINE 97Benzenamine, 4-octadecyl-p-octadecyl-aniline4-octa-decylaniline4-Octadecylaniline, 97%4-OCTADECYLANILINE97

Show more names

4-OCTADECYLANILINE 974-N-OCTADECYLANILINE ,98%

SCHEMBL1265414SCHEMBL17768414CCRTYBGROAGVGK-UHFFFAOYSA-N

Database identifiers

CAS: 114235-67-5
PubChem CID: 3563365
DTXSID: DTXSID10393672

Properties

Computed structural properties

XLogP: 10.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 17
Heavy atoms: 25
Formal charge: 0
Complexity: 255

Physicochemical properties

Melting point: 59 · 59-63 °C (lit.)
Boiling point: 240 · 240-245 °C/0.4 mmHg (lit.)
Density: 0.889 · 0.889±0.06 g/cm3(Predicted)
pka: 4.95 · 4.95±0.10(Predicted)
InChI: 1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(25)22-20-23/h19-22H,2-18,25H2,1H3
InChIKey: CCRTYBGROAGVGK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCc1ccc(N)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 14387 · Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Octadecylaniline was used in the fabrication of alternate-layer Langmuir-Blodgett (LB) films and pyroelectric activity in the films was assesd.