(4-Phenoxyphenyl)methanamine

HCID 2760343

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Grundinformationen

CAS: 107622-80-0
Standard-SMILES: NCc1ccc(Oc2ccccc2)cc1
InChIKey: CCAZAGUSBMVSAR-UHFFFAOYSA-N
Summenformel: C13H13NO
Durchschnittliche Molmasse: 199,25 g/mol
Monoisotopische Masse: 199,09971404

Namen und Bezeichner

Bevorzugter Name: (4-Phenoxyphenyl)methanamine
IUPAC: (4-phenoxyphenyl)methanamine
Englischer Name: 4-Phenoxybenzylamine
Summenformel: C13H13NO
Molmasse: 199.25

Namen und Synonyme

(4-phenoxyphenyl)methanamine4-phenoxybenzenemethanamineRefChem:403090671-210-34-Phenoxybenzylamine107622-80-0(4-phenoxyphenyl)methylamine1-(4-phenoxyphenyl)methanamineBenzenemethanamine, 4-phenoxy-4-Phenoxy-benzylamineMFCD013108364-phenoxybenzyl amine

Weitere Namen anzeigen

AKOS B022085ART-CHEM-BB B022085RARECHEM AL BW 03454-Phenoxybenzylamine, 10 mM in DMSO

4-phenoxybenzylamine, AldrichCPRDTXSID60375120FS-1206EN300-596224-phenyloxybenzylamineBCP263914-phenoxy benzylamine4-(Phenoxy)-benzylamine

Datenbank-Bezeichner

CAS: 107622-80-0
PubChem CID: 2760343
DTXSID: DTXSID60375120
ChEMBL: CHEMBL3427782
EC Number: 671-210-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Siedepunkt: 138 °C · 138°C 5mm
Dichte: 1 · 1,12 g/cm3
Brechungsindex: 1.59 · 1.59
Flammpunkt: 150 ℃ · 150℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in DMSO
Aggregatzustand: clear liquid
pka: 9.13 · 9.13±0.10(Predicted)
Farbe: Colorless to Light orange to Yellow
InChI: InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey: CCAZAGUSBMVSAR-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(OC2=CC=CC=C2)C=C1
CAS Datenbank: 107622 · 107622-80-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (16.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2922290090
risk_code: 36/37/38-50-41-37/38-25
hazard_code: C,Xi,N,T
safety_code: 26-36/37/39-61-45-39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3