Formamide, N-(2-phenylethyl)-

HCID 140995CAS 23069-99-0

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Grundinformationen

Standard-SMILES: O=CNCCc1ccccc1
InChIKey: NOOOMJZHMKSKBF-UHFFFAOYSA-N
Summenformel: C9H11NO
Durchschnittliche Molmasse: 149,19 g/mol
Monoisotopische Masse: 149,08406397

Namen und Bezeichner

Bevorzugter Name: Formamide, N-(2-phenylethyl)-
IUPAC: N-(2-phenylethyl)formamide
Englischer Name: Formamide, N-(2-phenylethyl)-
Summenformel: C9H11NO
Molmasse: 149.19

Namen und Synonyme

23069-99-0Formamide, N-(2-phenylethyl)-N-Formylphenylethylamine2-Phenylethylformamide(2-Phenethyl)formamideNSC 18966Formamide, N-phenethyl-,N-(2-Phenethyl)formamideDTXSID70177637RefChem:141211DTXCID30100128NOOOMJZHMKSKBF-UHFFFAOYSA-N

Weitere Namen anzeigen

N-FormylphenethylamineN-benzenethylcarboxamideN-formyl-1-phenethylamineN-(β-Phenylethyl)formamide

N-phenethylformamideN-(2-Phenylethyl)formamideN-PHENETHYL-FORMAMIDE(2-Phenylethyl)formamidephenethylformamideMFCD00962346phenylethylformamideN-formyl-2-phenylethanamine

Datenbank-Bezeichner

CAS: 23069-99-0
PubChem CID: 140995
DTXSID: DTXSID70177637
EC Number: 663-749-8
Nikkaji: J28.433E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 108

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1487.2

Physikochemische Eigenschaften

Siedepunkt: 180 · 180-181 °C(Press: 14 Torr)
Dichte: 1.049 g/mL · 1.049 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.546
Flammpunkt: 110 ℃ · >110℃
storage temp.: -20 °C · -20°C
pka: 16.04 · 16.04±0.23(Predicted)
Aggregatzustand: liquid
InChI: 1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
InChIKey: NOOOMJZHMKSKBF-UHFFFAOYSA-N
SMILES: O=CNCCc1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
risk_code: 22-37/38-41-43
hazard_code: Xn
safety_code: 26-36/37/39
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3