4-Phenylbenzylamine

HCID 344989

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Grundinformationen

CAS: 712-76-5
Standard-SMILES: NCc1ccc(-c2ccccc2)cc1
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
Summenformel: C13H13N
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,10479942

Namen und Bezeichner

Bevorzugter Name: 4-Phenylbenzylamine
IUPAC: (4-phenylphenyl)methanamine
Englischer Name: 4-PHENYLBENZYLAMINE
Summenformel: C13H13N
Molmasse: 183.25

Namen und Synonyme

4-PhenylbenzylamineDTXSID60322856RefChem:526403DTXCID60273975628-115-7712-76-5[1,1'-Biphenyl]-4-ylmethanamine(4-phenylphenyl)methanamine4-(aminomethyl)biphenyl4-phenylbenzyl amineMFCD01310838Biphenyl-4-ylmethanamine

Weitere Namen anzeigen

AKOS BBS-000068034-PhenylenzylamineRARECHEM AL BW 01724-PhenylbenzylaMine 97%4-Phenylbenzylamine ,98%BIPHENYL-4-YL-METHYLAMINE

4-Biphenylmethylamine1,1'-biphenyl-4-ylmethylamine(biphenyl-4-ylmethyl)amine(4-phenylphenyl)methylamineAR1994AKOS000131316[1,1'-Biphenyl]-4-methanamineC-biphenyl-4-yl-methylamine

Datenbank-Bezeichner

CAS: 712-76-5
PubChem CID: 344989
DTXSID: DTXSID60322856
ChEMBL: CHEMBL216761
EC Number: 628-115-7
Nikkaji: J1.384.688J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-53 °C (lit.)
Siedepunkt: 138 °C · 138°C 5mm
Dichte: 1.048 · 1.048±0.06 g/cm3(Predicted)
Flammpunkt: 225 °F · 225 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 9.05 · 9.05±0.10(Predicted)
InChI: 1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
SMILES: NCc1ccc(cc1)-c2ccccc2
CAS Datenbank: 712 · 712-76-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Phenylbenzylamine may be used in the synthesis of:squaric acid asymmetric diamides of glycopeptide antibioticsasymmetric diamides of daunomycin and carminomycinN-(biphenyl-4-ylmethyl)-1-hydroxy-6-thioxo-1,6-dihydropyridine-2-carboxamide4-Phenylbenzylamine may also be used in the synthesis of Gd3+ chelates of DOTA(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) type ligands.