O-Methyltyramine (HCID 4657)

Namen und Bezeichner

Bevorzugter Name: O-Methyltyramine
IUPAC: 2-(4-methoxyphenyl)ethanamine
Lokaler Name: p-Methoxyphenethylamin
Englischer Name: 4-Methoxyphenethylamine
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

4-Methoxyphenethylamine55-81-2Homoanisylaminep-Methoxyphenethylamine4-Methoxybenzeneethanamine4-MethoxyphenylethylamineO-MethyltyramineBenzeneethanamine, 4-methoxy-P-METHOXYPHENYLETHYLAMINE2-(4-Methoxyphenyl)Ethan-1-AmineTyramine, O-methyl-USAF EL-52

Weitere Namen anzeigen

2-(4-Methoxyphenyl)ethanamineMethyl Tyramine2-(4-METHOXYPHENYL)ETHYLAMINE4-MPEAusafel-52RARECHEM AL BW 0058

PHENETHYLAMINE, p-METHOXY-NSC 43687EINECS 200-245-5BRN 0508967DTXSID6058764NSC-436872-(4-methoxyphenyl)-ethylamineCHEBI:266039

Datenbank-Bezeichner

CAS: 2045-79-6、55-81-2
PubChem CID: 4657
DTXSID: DTXSID6058764
ChEMBL: CHEMBL101036
ChEBI: CHEBI:266039
UNII: UCE8P23XWF
EC Number: 200-245-5、218-066-6
Nikkaji: J74.924I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 97

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1318.8；1335.7

Physikochemische Eigenschaften

Schmelzpunkt: 249 · 249-251°C
Siedepunkt: 138 · 138-140 °C20 mm Hg(lit.)
Dichte: 1.031 g/mL · 1.031 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.538(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 9.96 · 9.96±0.10(Predicted)
Aggregatzustand: liquid
Farbe: light yellow
BRN: 508967 · 508967
InChI: InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey: LTPVSOCPYWDIFU-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(OC)C=C1
CAS Datenbank: 55 · 55-81-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzeneethanamine, 4-methoxy-(55-81-2)
EPA chemische Informationen: 4 · Benzeneethanamine, 4-methoxy- (55-81-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.

Danger

H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 106 reports by companies.；There are 3 notifications provided by 105 of 106 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 Einträge

Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340

2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Skin Corr. 1C (99.1%)；Eye Dam. 1 (38.7%)

Skin Corr. 1B (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340

2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29222900
RTECS-Nr.: SH7875000
risk_code: 34
hazard_code: C,T
hazard_note: Toxic/Corrosive
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneethanamine, 4-methoxy-: ACTIVE

Anwendungen

Verwenden4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

3-(4-Methoxyphenyl)propionamide 1-(2-azidoethyl)-4-methoxy-benzene 1-Methoxy-4-(2-nitroethyl)benzene 1-(4-Methoxyphenyl)-2-nitroethylene 4-Vinylanisol p-Methoxyphenethylalkohol 4-Methoxyphenylacetonitril

Nachgelagerte Produkte

1-(2-Bromethyl)-4-methoxybenzol N,N-dimethyl-4-methoxyphenylethylamine 4-Methoxy-N-(phenylmethylene)benzeneethanamine 2-Cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide Benzenesulfonamide, 5-(2-aminoethyl)-2-methoxy-

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 4-methoxyphenylethylamine is a primary amino compound consisting of ethylamine having a 4-methoxyphenyl substituent at the 2-position. It derives from a hydride of a 2-phenylethylamine.

Zugehörige Reaktionen

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HRID 2837als Eduktuspto-grants-1998_03

HRID 12345als Eduktuspto-grants-2010_06

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HRID 12361als Eduktuspto-grants-2010_06

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HRID 14845als Eduktuspto-grants-2010_06

HRID 48625als Eduktuspto-grants-2004_03

HRID 52595als Eduktuspto-grants-1997_04

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