1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-

HCID 66325CAS 10420-89-0

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Grundinformationen

Standard-SMILES: C[C@H](N)c1cccc2ccccc12
InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N
Summenformel: C12H13N
Durchschnittliche Molmasse: 171,24 g/mol
Monoisotopische Masse: 171,10479942

Überblick

See also: (1S)-1-Naphthylethylamine (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
IUPAC: (1S)-1-naphthalen-1-ylethanamine
Englischer Name: (S)-(-)-1-(1-Naphthyl)ethylamine
Summenformel: C12H13N
Molmasse: 171.24

Namen und Synonyme

(S)-(-)-1-(1-Naphthyl)ethylamine(S)-alpha-Methyl-1-naphthalenemethanamine(-)-1-(1-naphthyl)ethylamineAI3-268581-Naphthalenemethanamine, alpha-methyl-, (alphaS)-DTXSID2010145491-Naphthalenemethanamine, alpha-methyl-, (S)-(-)-1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-RefChem:434793DTXCID701437122600-536-010420-89-0

Weitere Namen anzeigen

Cinacalcet-22Cinacalcet Impurity 35Cinacalcet Impurity 731-(1-Naphthyl)ethanamineL-A-(1-NAPHTHYL)ETHYLAMINE(S) 1-(1-NAPTHYL)ETHYLAMINE(s)-1-naphthalenemethanamin

(1S)-1-(Naphthalen-1-Yl)Ethan-1-Amine(S)-1-(naphthalen-1-yl)ethanamineMFCD00064179(1S)-1-(1-naphthyl)ethanamine(1S)-1-naphthalen-1-ylethanamine(S)-(-)-alpha-(1-Naphthyl)ethylamine(S)-1-(1-Naphthyl)ethylamineCinacalcet Impurity 58

Datenbank-Bezeichner

CAS: 10420-89-0
PubChem CID: 66325
DTXSID: DTXSID201014549
UNII: XNJ82A6G3C
EC Number: 600-536-0
Nikkaji: J53.227D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Siedepunkt: 153 °C/11 · 153 °C/11 mmHg (lit.)
Dichte: 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.623(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform, ethanol.
Aggregatzustand: Liquid
pka: 9.26 · 9.26±0.40(Predicted)
Farbe: brown
BRN: 2208024 · 2208024
InChI: 1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N
SMILES: C[C@H](N)c1cccc2ccccc12
CAS Datenbank: 10420 · 10420-89-0(CAS DataBase Reference)
NIST chemische Informationen: (S)-(-)-«alpha»-(1-naphthyl)ethylamine(10420-89-0)
EPA chemische Informationen: 1 · 1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)- (10420-89-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (71%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 155 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (71%)

Sicherheitsdaten

F: 10-34
wgk: 3
tsca: TSCA listed
ridadr: 2735
hs_code: 29214990
RTECS-Nr.: QJ6963000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 8
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: ACTIVE

Anwendungen · 1 Eintrag

Beschreibung(S)-(-)-1-(1-Naphthyl)ethylamine is an organic compound used as a raw material for organic synthesis. Chiral moieties were connected to the heteroatom-bridged calix-triazin scaffold by reactions of (S)- or (R)-(+)-1-(1-Naphthyl)ethylamine with tetraazacalix[4]arene[2]triazine.