Benzyldiphenylamine

HCID 69080CAS 606-87-1

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Basic information

Standard SMILES: c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIKey: FKJARBPQBIATJT-UHFFFAOYSA-N
Molecular formula: C19H17N
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.13609955

Names & identifiers

Preferred name: Benzyldiphenylamine
IUPAC: N-benzyl-N-phenylaniline
English name: BENZYL-DIPHENYL-AMINE
Molecular formula: C19H17N
Molecular weight: 259.35

Names & synonyms

606-87-1BenzyldiphenylamineN,N-DiphenylbenzenemethanamineEINECS 210-127-5DTXSID20209412RefChem:566954DTXCID40131903210-127-5N-benzyl-N-phenylanilineN,N-Diphenylbenzylaminebenzyl-diphenyl-aminediphenylbenzylamine

Show more names

N-BENZYLDIPHENYLAMINEDiphenyl(benzyl)amineN-Benzyl-N-phenylbenzenamineN,N-diphenylbenzenemethylamineN-phenyl-N-(phenylmethyl)aniline

MFCD00092745Benzenemethanamine, N,N-diphenyl-N,N-DiphenylbenzylaminN-benzyl-N-phenyl-anilineSCHEMBL918512N,N-diphenyl-benzenemethanamineSCHEMBL5843435SCHEMBL6157580

Database identifiers

CAS: 606-87-1
PubChem CID: 69080
DTXSID: DTXSID20209412
EC Number: 210-127-5
Nikkaji: J7.005J

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 88 · 88-89℃ (ethanol )
Boiling point: 392.6 °C · 392.6°C (rough estimate)
Density: 0.9242 · 0.9242 (rough estimate)
refractive index: 1.75 · 1.7500 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 0.47 · 0.47±0.50(Predicted)
Appearance: Light green to green Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313