1-Naphthaleneethanamine

HCID 20853CAS 4735-50-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NCCc1cccc2ccccc12
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
Summenformel: C12H13N
Durchschnittliche Molmasse: 171,24 g/mol
Monoisotopische Masse: 171,10479942

Namen und Bezeichner

Bevorzugter Name: 1-Naphthaleneethanamine
IUPAC: 2-naphthalen-1-ylethanamine
Englischer Name: 1-NaphthaleneethanaMine HCl
Summenformel: C12H13N
Molmasse: 171.24

Namen und Synonyme

4735-50-61-Naphthaleneethanamine1-NAPHTHALENEETHYLAMINE2-(1-Naphthyl)ethylamine1-(2-Aminoethyl)naphthaleneBRN 11010131-Naphthaleneethanamine (9CI)DTXSID901971154-12-00-03213 (Beilstein Handbook Reference)RefChem:76467DTXCID00119606RUJHATQMIMUYKD-UHFFFAOYSA-N

Weitere Namen anzeigen

3-(naphthalen-1-yl)propan-1-amine hydrochloride

2-(naphthalen-1-yl)ethanamine2-(1-naphthyl)ethanamine2-(Naphthalen-1-Yl)Ethan-1-Amine2-naphthalen-1-ylethanaminenaphthylethylamine1-Naphthaleneethanamine HClMFCD015298662-(1-naphthyl)ethanamine hydrochloride

Datenbank-Bezeichner

CAS: 4735-50-6
PubChem CID: 20853
DTXSID: DTXSID90197115
EC Number: 870-773-4
Nikkaji: J58.157G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 212 · 212-213 °C (decomp)
Siedepunkt: 170 · 170-173 °C(Press: 16 Torr)
Dichte: 1.069 · 1.069±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 9.78 · 9.78±0.10(Predicted)
InChI: InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
SMILES: C1(CCN)=C2C(C=CC=C2)=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, 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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.