3-(Aminomethyl)biphenyl

HCID 2760368CAS 177976-49-7

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Grundinformationen

Standard-SMILES: NCc1cccc(-c2ccccc2)c1
InChIKey: WKHABRRJMGVELW-UHFFFAOYSA-N
Summenformel: C13H13N
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,10479942

Namen und Bezeichner

Bevorzugter Name: 3-(Aminomethyl)biphenyl
IUPAC: (3-phenylphenyl)methanamine
Englischer Name: 3-PHENYLBENZYLAMINE
Summenformel: C13H13N
Molmasse: 183.25

Namen und Synonyme

3-(Aminomethyl)biphenylRefChem:494132671-211-93-Phenylbenzylamine177976-49-7[1,1'-Biphenyl]-3-ylmethanamine(3-phenylphenyl)methanamine[1,1'-Biphenyl]-3-methanamineMFCD00270124CHEMBL4162063(3-phenylphenyl)methylamineBiphenyl-3-methanamine HCl

Weitere Namen anzeigen

TIMTEC-BB SBB007527RARECHEM AL BW 08853-Phenylbenzylamine ,98%3-(Aminomethyl)biphenyl 95%1,1'-Biphenyl]-3-methanamine

3-phenyl benzylamine3-phenyl-benzylamine3-phenylbenzyl aminebiphenyl-3-methanamine3-(phenyl)benzyl amine(biphenyl-3-y)methylamine1-Biphenyl-3-ylmethanamineC-Biphenyl-3-yl-methylamine

Datenbank-Bezeichner

CAS: 177976-49-7
PubChem CID: 2760368
DTXSID: DTXSID70375136
ChEMBL: CHEMBL4162063
EC Number: 671-211-9
Nikkaji: J2.283.183F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 28 °C · 28 °C
Siedepunkt: 128 °C · 128 °C
Dichte: 1.048 · 1.048±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9 · 9.00±0.10(Predicted)
Aggregatzustand: solid
InChI: 1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
InChIKey: WKHABRRJMGVELW-UHFFFAOYSA-N
SMILES: NCc1cccc(c1)-c2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (25%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2921490090
risk_code: 36/37/38-50-41-37/38
hazard_code: T,Xi,N
safety_code: 26-36/37/39-61-39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Phenylbenzylamine is used as a reagent for the preparation of N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas. Based on biological studies, N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas is considered a potent and selective microsomal prostaglandin E synthase (mPGES-1) inhibitors.