1-(3-Isopropoxyphenyl)methanamine

HCID 2760935

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Grundinformationen

CAS: 386704-11-6
Standard-SMILES: CC(C)Oc1cccc(CN)c1
InChIKey: YRNFZPXUBVUYBJ-UHFFFAOYSA-N
Summenformel: C10H15NO
Durchschnittliche Molmasse: 165,23 g/mol
Monoisotopische Masse: 165,1153641

Namen und Bezeichner

Bevorzugter Name: 1-(3-Isopropoxyphenyl)methanamine
IUPAC: (3-propan-2-yloxyphenyl)methanamine
Englischer Name: 1-(3-Isopropoxyphenyl)methanamine
Summenformel: C10H15NO
Molmasse: 165.23

Namen und Synonyme

1-(3-Isopropoxyphenyl)methanamineRefChem:423925811-364-2(3-isopropoxyphenyl)methanamine400771-44-0(3-isopropoxybenzyl)amineMFCD04037891(3-propan-2-yloxyphenyl)methanamine[3-(propan-2-yloxy)phenyl]methanamine3-Isopropoxybenzyl AmineBenzenemethanamine, 3-(1-methylethoxy)-3-Isopropoxybenzylamine

Weitere Namen anzeigen

3-Isopropoxybenzylamine 95+%3-(Isopropoxy)benzenemethanamine(3-isopropoxyphenyl)methanamine HCl3-(1-Methylethoxy)benzenemethanamine(3-isopropoxybenzyl)amine(SALTDATA: FREE){3-[(Prop-2-yl)oxy]phenyl}methylamine, 3-(Aminomethyl)phenyl isopropyl ether

[3-(methylethoxy)phenyl]methylamine(3-iso-propoxy)benzyl amine1-[3-(propan-2-yloxy)phenyl]methanamine3-(isopropoxy)benzylamine3-isopropoxyphenylmethanamineSCHEMBL756850SCHEMBL1768209CHEMBL4590692

Datenbank-Bezeichner

CAS: 386704-11-6、400771-44-0
PubChem CID: 2760935
DTXSID: DTXSID00959509
ChEMBL: CHEMBL4590692
EC Number: 811-364-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Siedepunkt: 70 ℃/0.05mm · 70℃/0.05mm
Dichte: 0.99 · 0.990±0.06 g/cm3(Predicted)
pka: 9.12 · 9.12±0.10(Predicted)
Aggregatzustand: oil
Farbe: Clear, colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, 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.；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.