CAS 125404-00-4 Benzenamine, 4-(1-naphthalenyl)- (HCID 2760169)

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Basic information

CAS: 125404-00-4
Standard SMILES: Nc1ccc(-c2cccc3ccccc23)cc1
InChIKey: OGHOZWNRKYYYHY-UHFFFAOYSA-N
Molecular formula: C16H13N
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.10479942

Names & identifiers

Preferred name: Benzenamine, 4-(1-naphthalenyl)-
IUPAC: 4-naphthalen-1-ylaniline
English name: Benzenamine, 4-(1-naphthalenyl)-
Molecular formula: C16H13N
Molecular weight: 219.28

Names & synonyms

125404-00-44-(naphthalen-1-yl)anilineBenzenamine, 4-(1-naphthalenyl)-4-naphthalen-1-ylaniline1-(4-aminophenyl)naphthalene4-(1-naphthyl)aniline4-(1-Naphthalenyl)benzenamineMFCD04117441SCHEMBL2003924SCHEMBL29456916DTXSID70375050OGHOZWNRKYYYHY-UHFFFAOYSA-N

Show more names

naphthalenyl)4-[1]Naphthyl-anilin4-[1]naphthyl-aniline4-(1-naphtalenyl)benzeneamine1-(4-Amino-phenyl)-naphthalin4-(1-naphthalenyl)-BenzenamineBenzenamine, 4-(1-naphthalenyl)- ISO 9001：2015 REACH

AKOS005821289FK-0062SB79381SY285166DB-411344CS-0146325E76346F622250

Database identifiers

CAS: 125404-00-4
PubChem CID: 2760169
DTXSID: DTXSID70375050
Nikkaji: J997.187D

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 242

Physicochemical properties

Boiling point: 381.3 · 381.3±11.0 °C(Predicted)
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 4.49 · 4.49±0.10(Predicted)
Appearance: Light yellow to light brown Solid
InChI: InChI=1S/C16H13N/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
InChIKey: OGHOZWNRKYYYHY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C2=C3C(C=CC=C3)=CC=C2)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338