2,3-Dimethoxybenzylamin

2,3-Dimethoxybenzylamine

HCID 78106CAS 4393-09-3

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Grundinformationen

Standard-SMILES: COc1cccc(CN)c1OC
InChIKey: LVMPWFJVYMXSNY-UHFFFAOYSA-N
Summenformel: C9H13NO2
Durchschnittliche Molmasse: 167,2 g/mol
Monoisotopische Masse: 167,09462866

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethoxybenzylamine
IUPAC: (2,3-dimethoxyphenyl)methanamine
Lokaler Name: 2,3-Dimethoxybenzylamin
Englischer Name: 2,3-Dimethoxybenzylamine
Summenformel: C9H13NO2
Molmasse: 167.21

Namen und Synonyme

2,3-Dimethoxybenzylamine4393-09-3EINECS 224-515-7DTXSID90195994RefChem:442448DTXCID30118485224-515-7(2,3-Dimethoxyphenyl)methanamine1-(2,3-dimethoxyphenyl)methanamineo-VeratrylamineBenzenemethanamine, 2,3-dimethoxy-MFCD00052392

Weitere Namen anzeigen

4393/9/3RARECHEM AL BW 01512,3-Dimethoxybenzyla2,3-Dimethoxybenzylamine>2,3-Dimethoxybenzylamine 99%2,3-Dimethoxybenzylamine ,99%(2,3-Dimethoxyphenyl)methylamine

Benzylamine, 2,3-dimethoxy-[(2,3-Dimethoxyphenyl)methyl]amine2,3-dimethoxy benzylamine(2,3-dimethoxybenzyl)amineEN300-35059Z2348952192,3-DimethoxybenzenemethanamineYC8UH2CND7

Datenbank-Bezeichner

CAS: 4393-09-3
PubChem CID: 78106
DTXSID: DTXSID90195994
ChEMBL: CHEMBL555371
UNII: YC8UH2CND7
EC Number: 224-515-7
Nikkaji: J205.773E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 229 · 229-230 °C(Solv: N,N-dimethylformamide (68-12-2))
Siedepunkt: 137 °C/11 · 137 °C/11 mmHg (lit.)
Dichte: 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.54(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.12 · 9.12±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
CAS Datenbank: 4393 · 4393-09-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenemethanamine, 2,3-dimethoxy-(4393-09-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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 CategoriesSkin Irrit. 2 (95.3%)；Eye Irrit. 2 (95.3%)；STOT SE 3 (95.3%)

Sicherheitsdaten

wgk: 3
ridadr: 2735
hs_code: 29222900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden2,3-Dimethoxybenzylamine was used in the synthesis of di-,tri- and tetrapeptide linked dicatechol derivatives and 1-aryl-2,3-dihydro-1H-isoindoles (isoindolines).