(S)-(-)-N-Benzyl-1-phenylethylamine

HCID 1268085CAS 17480-69-2

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Grundinformationen

Standard-SMILES: C[C@H](NCc1ccccc1)c1ccccc1
InChIKey: ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
Summenformel: C15H17N
Durchschnittliche Molmasse: 211,3 g/mol
Monoisotopische Masse: 211,13609954

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-N-Benzyl-1-phenylethylamine
IUPAC: (1S)-N-benzyl-1-phenylethanamine
Englischer Name: (S)-(-)-N-Benzyl-1-phenylethylamine
Summenformel: C15H17N
Molmasse: 211.3

Namen und Synonyme

17480-69-2(S)-(-)-N-Benzyl-1-phenylethylamineDTXSID90361450RefChem:407718(-)-n-benzyl-1-phenylethylamineDTXCID60312499605-736-1S-(-)-N-Benzyl-1-phenylethylamine(S)-(-)-N-Benzyl-alpha-methylbenzylamine(S)-N-benzyl-1-phenylethanamine(1S)-N-benzyl-1-phenylethanamineMFCD00066325

Weitere Namen anzeigen

(-)-α-Methyl-dibenzylaMinN-Benzyl-1-phenylethanamineS-Benzyl-α-methylbenzylamine(S)-N-Benzyl-α-phenethylamine)-N-Benzyl-α-MethylbenzylaMineBenzyl[(S)-α-methylbenzyl]amine

(1S)-N-Benzyl-1-phenyl-ethanamine(S)-N-benzyl-alpha-methylbenzylamine(s)-n-benzyl-1-phenylethylaminebenzyl[(1S)-1-phenylethyl]amine(R)-(+)-N-Benzyl-alpha-methylbenzylamine(S)-N-benzyl-1-phenylethan-1-amine(S)-(-)-N-Benzyl-|A-methylbenzylamineSCHEMBL774613

Datenbank-Bezeichner

CAS: 17480-69-2
PubChem CID: 1268085
DTXSID: DTXSID90361450
EC Number: 605-736-1
Nikkaji: J1.005.042A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Siedepunkt: 171 °C15 · 171 °C15 mm Hg(lit.)
Dichte: 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.563(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 8.79 · 8.79±0.19(Predicted)
Farbe: Clear colorless to yellow
Wichte: 1.01 · 1.01
BRN: 3650264 · 3650264
InChI: 1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChIKey: ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
SMILES: C[C@H](NCc1ccccc1)c2ccccc2
CAS Datenbank: 17480 · 17480-69-2(CAS DataBase Reference)
NIST chemische Informationen: (R)-(+)-n-benzyl-«alpha»-methylbenzylamine(17480-69-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: 2735
hs_code: 29214990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-()-N-Benzyl-α-methylbenzylamine can be used:In one of the key synthetic steps for the preparation of a cardioprotective drug named CP-060S.To prepare (1S,2S,3S,5R)-tert-butyl 3-[benzyl((S)-1-phenylethyl)amino]-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate, an intermediate used to synthesize pinane-based β- and γ-amino acids.To prepare urea derivatives as potent antimicrobial agents.