N,N-Diethyl-β-alaninhydrochlorid

N,N-diethyl-beta-alanine hydrochloride

HCID 3084241

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Grundinformationen

CAS: 15674-67-6
Standard-SMILES: CCN(CC)CCC(=O)O.Cl
InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
Summenformel: C7H16ClNO2
Durchschnittliche Molmasse: 181,66 g/mol
Monoisotopische Masse: 181,08695643

Namen und Bezeichner

Bevorzugter Name: N,N-diethyl-beta-alanine hydrochloride
IUPAC: 3-(diethylamino)propanoic acid;hydrochloride
Lokaler Name: N,N-Diethyl-β-alaninhydrochlorid
Englischer Name: 3-(Diethylamino)propionic acid hydrochloride
Summenformel: C7H16ClNO2
Molmasse: 181.66

Namen und Synonyme

15674-67-6N,N-Diethyl-beta-alanine hydrochlorideEINECS 239-751-6beta-Alanine, N,N-diethyl-, hydrochloride (1:1)DTXSID70166122RefChem:822304DTXCID1088613239-751-63-(diethylamino)propanoic acid hydrochloride3-(Diethylamino)propionic acid hydrochlorideMFCD000126113-(diethylamino)propanoic acid;hydrochloride

Weitere Namen anzeigen

N,N-diethyl-beta-alanine3-(Diethylamino)propionicacidHClN,N-diethyl-b-Alanine, hydrochloride (1:1)β-Alanine, N,N-diethyl-, hydrochloride (1:1)3-(Diethylamino)propionicAcidHydrochloride>3-(N,N-diethylamino)propionic acid hydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HYDROCHLORIDE 99%

3-Diethylaminopropionic acid hydrochlorideAS-10553D17133-(Diethylamino)propanoicacidhydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HCL3-diethylamino-propionic acid hydrochloride3-(Diethylamino)propanoiSCHEMBL866233

Datenbank-Bezeichner

CAS: 15674-67-6
PubChem CID: 3084241
DTXSID: DTXSID70166122
UNII: 9N72U8GWK3
EC Number: 239-751-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 11
Formalladung: 0
Komplexität: 99,8

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-148 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: almost transparency
Major Application: peptide synthesis
InChI: 1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKey: QQVHFNAGPZTCBE-UHFFFAOYSA-N
SMILES: Cl.CCN(CC)CCC(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.