(R)-1-Phenylpropylamine

HCID 5324978CAS 3082-64-2

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Grundinformationen

Standard-SMILES: CC[C@@H](N)c1ccccc1
InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-N
Summenformel: C9H13N
Durchschnittliche Molmasse: 135,21 g/mol
Monoisotopische Masse: 135,10479942

Namen und Bezeichner

Bevorzugter Name: (R)-1-Phenylpropylamine
IUPAC: (1R)-1-phenylpropan-1-amine
Englischer Name: (R)-(+)-1-Phenylpropylamine
Summenformel: C9H13N
Molmasse: 135.21

Namen und Synonyme

(R)-1-Phenylpropylamine(+)-1-PhenylpropylamineRefChem:407132608-544-63082-64-2(R)-(+)-1-Phenylpropylamine(R)-1-phenylpropan-1-amine(1R)-1-phenylpropan-1-amine(R)-(+)-alpha-EthylbenzylamineMFCD00083057(R)-alpha-ethylbenzylamine(R)-(+)-1-Amino-1-phenylpropane

Weitere Namen anzeigen

R(+)-A-ETHYLBENZYLAMINE(R)-1-PhenylpropanaMineD-ALPHA-ETHYLBENZYLAMINE(R)-(+)-ETHYLBENZYLAMINE(R)-(+)-PHENYLPROPYLAMINE

(R)-(+)-alpha -Ethylbenzylamine(R)-(+)-a-Ethylbenzylamine(1R)-1-PhenylpropylamineR(+)-alpha-ethylbenzylamine(alphaR)-alpha-Ethylbenzenemethanamine(1r)-phenylpropylamine1(r)-phenylpropylamineGX79CZZ2QV

Datenbank-Bezeichner

CAS: 3082-64-2
PubChem CID: 5324978
DTXSID: DTXSID00415973
UNII: GX79CZZ2QV
EC Number: 608-544-6
Nikkaji: J57.047H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 84

Physikochemische Eigenschaften

Schmelzpunkt: -69 °C · -69°C
Siedepunkt: 205 °C · 205°C
Dichte: 0.94 g/mL · 0.940 g/mL at 20 °C(lit.)
Dampfdruck: 26.5 Pa · 26.5Pa at 20℃
Brechungsindex: 20 · n20/D 1.520
Flammpunkt: 77 °C · 77°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
pka: 9.34 · 9.34±0.10(Predicted)
Farbe: Clear Colourless
BRN: 3029904 · 3029904
InChI: 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1
InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-N
SMILES: CC[C@@H](N)c1ccccc1
CAS Datenbank: 3082 · 3082-64-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (70%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (69.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (72.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 4 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.