Ethyl-N-(phenylmethyl)glycinat

N-Benzylglycine ethyl ester

HCID 80908CAS 6436-90-4

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Grundinformationen

Standard-SMILES: CCOC(=O)CNCc1ccccc1
InChIKey: ULOLIZHBYWAICY-UHFFFAOYSA-N
Summenformel: C11H15NO2
Durchschnittliche Molmasse: 193,24 g/mol
Monoisotopische Masse: 193,11027872

Namen und Bezeichner

Bevorzugter Name: N-Benzylglycine ethyl ester
IUPAC: ethyl 2-(benzylamino)acetate
Lokaler Name: Ethyl-N-(phenylmethyl)glycinat
Englischer Name: N-Benzylglycine ethyl ester
Summenformel: C11H15NO2
Molmasse: 193.24

Namen und Synonyme

N-Benzylglycine ethyl ester6436-90-4Ethyl N-(phenylmethyl)glycinateDTXSID90214578RefChem:1091619DTXCID20137069229-218-6ethyl 2-(benzylamino)acetateEthyl (benzylamino)acetateBzl-Gly-OEtGlycine, N-(phenylmethyl)-, ethyl estern-benzyl glycine ethyl ester

Weitere Namen anzeigen

AKOS 229C11H15NO2N-BZL-GLY-OETN-Bzl-Gly-Oet-OHTIMTEC-BB SBB003613Ethyl N-benzylglycine

MFCD00009174Ethyl N-benzylglycinateEthyl benzylaminoacetatebenzylamino-acetic acid ethyl esterethyl 2-[benzylamino]acetateethyl benzylglycinateN-Benzyl-glycine ethyl estern-(phenylmethyl)glycine ethyl ester

Datenbank-Bezeichner

CAS: 6436-90-4
PubChem CID: 80908
DTXSID: DTXSID90214578
UNII: F78Q9SH2Z3
EC Number: 229-218-6
Nikkaji: J62.853K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 14
Formalladung: 0
Komplexität: 165

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 140 · 140-142 °C/10 mmHg (lit.)
Dichte: 1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.506(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
pka: 6.84 · 6.84±0.20(Predicted)
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 2104816 · 2104816
InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey: ULOLIZHBYWAICY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CNCC1=CC=CC=C1
CAS Datenbank: 6436 · 6436-90-4(CAS DataBase Reference)
NIST chemische Informationen: N-Benzylglycine ethyl ester(6436-90-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN2735
hs_code: 29224999
risk_code: 34-36/37/38-20/21/22
hazard_code: C,Xi,Xn
safety_code: 23-24/25-45-36/37/39-26-36

Chemie und Industrie

Anwendungen

VerwendenN-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.