N-Benzylphenethylamin

N-Benzylphenethylamine

HCID 65055CAS 3647-71-0

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Grundinformationen

Standard-SMILES: c1ccc(CCNCc2ccccc2)cc1
InChIKey: UPABQMWFWCMOFV-UHFFFAOYSA-N
Summenformel: C15H17N
Durchschnittliche Molmasse: 211,3 g/mol
Monoisotopische Masse: 211,13609954

Überblick

Benethamine is an aromatic amine that is 2-phenylethanamine in which one of the hydrogens attached to the amino group is substituted by a benzyl group.

Namen und Bezeichner

Bevorzugter Name: N-Benzylphenethylamine
IUPAC: N-benzyl-2-phenylethanamine
Lokaler Name: N-Benzylphenethylamin
Englischer Name: N-Benzyl-2-phenylethylamine
Summenformel: C15H17N
Molmasse: 211.3

Namen und Synonyme

N-Benzyl-2-phenylethanamineBenethamineN-Benzyl-2-phenethylamineN-BenzylphenethylamineBenzeneethanamine, N-(phenylmethyl)-N-(phenylmethyl)benzeneethanaminen-benzyl-1-phenethylamineN-phenethylbenzylamineN-BENZYLBENZENEETHANAMINE90J4SPI061EINECS 222-882-8NSC-62943

Weitere Namen anzeigen

N-benzyl-2-phenylethan-1-amineCBI-BB ZERO/001789TIMTEC-BB SBB000516BenzylphenethylaminePhenethylbenzylamineN-BENZYL-2-PHENETYLAMINE

CHEBI:52148DTXSID20189982NSC 62943NSC-162943RefChem:829279DTXCID80112473222-882-83647-71-0

Datenbank-Bezeichner

CAS: 3647-71-0
PubChem CID: 65055
DTXSID: DTXSID20189982
ChEMBL: CHEMBL1618762
ChEBI: CHEBI:52148
UNII: 90J4SPI061
EC Number: 222-882-8
Nikkaji: J150.076G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 16
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-64 °C
Siedepunkt: 327 · 327-328 °C750 mm Hg(lit.)
Dichte: 1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.566(lit.)
Flammpunkt: 230 °F · >230 °F
pka: 9.36 · 9.36±0.19(Predicted)
InChI: 1S/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey: UPABQMWFWCMOFV-UHFFFAOYSA-N
SMILES: C(Cc1ccccc1)NCc2ccccc2
CAS Datenbank: 3647 · 3647-71-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 03-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16726

Benzeneethanamine, N-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenN-Benzyl-2-phenethylamine has been used in synthesis of dithiocarbamates.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter37 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An aromatic amine that is 2-phenylethanamine in which one of the hydrogens attached to the amino group is substituted by a benzyl group.