N-Benzylglycine Hydrochloride

HCID 2756624

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Grundinformationen

CAS: 7689-50-1
Standard-SMILES: Cl.O=C(O)CNCc1ccccc1
InChIKey: BUZJPENZWLUHJD-UHFFFAOYSA-N
Summenformel: C9H12ClNO2
Durchschnittliche Molmasse: 201,65 g/mol
Monoisotopische Masse: 201,0556563

Namen und Bezeichner

Bevorzugter Name: N-Benzylglycine Hydrochloride
IUPAC: 2-(benzylamino)acetic acid;hydrochloride
Englischer Name: Benzylaminoacetic acid hydrochloride
Summenformel: C9H11NO2.ClH
Molmasse: 201.65

Namen und Synonyme

N-Benzylglycine hydrochlorideDTXSID703734501-Carboxy-3-phenylpropan-2-aminium chlorideRefChem:162960DTXCID70324482629-151-67689-50-1Bzl-Gly-OH.HClBenzylaminoacetic acid hydrochloride2-(benzylamino)acetic Acid HydrochlorideN-benzylglycine HClMFCD00156934

Weitere Namen anzeigen

BZL-GLY-OHN-BZL-GLY-OHBz-Gly-OH·HClN-ALPHA-BENZYL-GLYCINEBENZYLAMINO-ACETIC ACID(N-BENZYLAMINO)ACETIC ACID1-Benzyl glycine hydrochlorideN-Benzylglycine hydrochloride 98%N-Benzylglycine Hydrochloride >

2-(benzylamino)acetic acid;hydrochlorideBzl-Gly-OH inverted exclamation mark currencyHClbenzylglycine hydrochloriden-benzyl glycine hydrochlorideSCHEMBL1252387AKOS015848422B3075F0001-1969

Datenbank-Bezeichner

CAS: 7689-50-1
PubChem CID: 2756624
DTXSID: DTXSID70373450
EC Number: 629-151-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 232 °C · 232 °C (dec.)(lit.)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 3915652 · 3915652
Major Application: peptide synthesis
InChI: InChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKey: BUZJPENZWLUHJD-UHFFFAOYSA-N
SMILES: C(O)(=O)CNCC1=CC=CC=C1.[H]Cl
CAS Datenbank: 7689 · 7689-50-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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, P305+P354+P338, P317, 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 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.