1-(2-Phenylethyl)piperidin-4-amine

HCID 10728788CAS 1209-04-7

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Grundinformationen

Standard-SMILES: NC1CCN(CCc2ccccc2)CC1
InChIKey: BCEKLYJIVXGPLQ-UHFFFAOYSA-N
Summenformel: C13H20N2
Durchschnittliche Molmasse: 204,31 g/mol
Monoisotopische Masse: 204,16264865

Namen und Bezeichner

Bevorzugter Name: 1-(2-Phenylethyl)piperidin-4-amine
IUPAC: 1-(2-phenylethyl)piperidin-4-amine
Englischer Name: 1-Phenethyl-piperidin-4-ylamine
Summenformel: C13H20N2
Molmasse: 204.31

Namen und Synonyme

1-(2-phenylethyl)piperidin-4-amineRefChem:422620675-996-91-phenethylpiperidin-4-amine51448-56-74-Amino-1-N-phenylethylpiperidine4-amino-1-phenethylpiperidine1-Phenethyl-piperidin-4-ylamineMFCD03411613CHEMBL4234301-(2-PHENYLETHYL)-4-PIPERIDINAMINE4-piperidinamine, 1-(2-phenylethyl)-, dihydrochloride

Weitere Namen anzeigen

N-phenylethyl-4-aminopiperidineN-(PHENETHYL)-4-AMINO-PIPERIDINE1-(2-Phenethyl)-4-Amino Piperidine

1-(2-PHENYLETHYL)PIPERIDIN-4-AMINE DIHYDROCHLORIDEn-(2-phenethyl)-4-aminopiperidinen-(2-phenethyl)-4-amino piperidine(phenethyl)-4-aminopiperidin1-phenethyl-4-aminopiperidine-(phenethyl)-4-aminopiperidinSCHEMBL18034842-phenylethyl-4-aminopiperidine

Datenbank-Bezeichner

CAS: 1209-04-7、51448-56-7
PubChem CID: 10728788
DTXSID: DTXSID70444078
ChEMBL: CHEMBL423430
EC Number: 180-911-9、675-996-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Siedepunkt: 142 ℃ · 142℃ (0.10 Torr)
Dichte: 1.004 · 1.004±0.06 g/cm3(Predicted)
pka: 10.48 · 10.48±0.20(Predicted)
Aggregatzustand: solid
InChI: 1S/C13H20N2/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
InChIKey: BCEKLYJIVXGPLQ-UHFFFAOYSA-N
SMILES: NC1CCN(CC1)CCc2ccccc2
CAS Datenbank: 51448 · 51448-56-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；Skin Corr. 1B (75%)；STOT SE 3 (50%)

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: WGK 3
risk_code: 25
hazard_code: T
safety_code: 45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral