N-Pentylaniline

HCID 75865CAS 2655-27-8

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCNc1ccccc1
InChIKey: UMNSMBWAESLVOC-UHFFFAOYSA-N
Molecular formula: C11H17N
Average molar mass: 163.26 g/mol
Monoisotopic mass: 163.13609954

Names & identifiers

Preferred name: N-Pentylaniline
IUPAC: N-pentylaniline
English name: N-N-Pentylaniline
Molecular formula: C11H17N
Molecular weight: 163.26

Names & synonyms

N-Pentylaniline2655-27-8N-PentylbenzenamineEINECS 220-183-2DTXSID20181123RefChem:830907DTXCID30103614220-183-2Benzenamine, N-pentyl-N-Amyl anilineN-AmylanilineN-N-PENTYLANILINE

Show more names

N-Pentylaniline>N-pentylbenzeneamine

MFCD00059431N-N-AmylanilineAmylanilinamyl(phenyl)amineN-pentylphenylamineN-Pentyl-N-phenylamineGMP2VUB9WYSCHEMBL96272

Database identifiers

CAS: 2655-27-8
PubChem CID: 75865
DTXSID: DTXSID20181123
UNII: GMP2VUB9WY
EC Number: 220-183-2
Nikkaji: J28.368A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 95.2

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 46.25 °C · 46.25°C (estimate)
Boiling point: 258 °C · 258°C
Density: 0 · 0,93 g/cm3
refractive index: 1.526 to · 1.5260 to 1.5290
Flash point: 107 °C · 107°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 5.05 · 5.05±0.50(Predicted)
color: Light orange to Yellow to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H332-H302-H315-H312
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
hs_code: 2921490090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H319-H332-H302-H315-H312
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501