3-Aminopropanamide hydrochloride

HCID 22222288CAS 64017-81-8

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Grundinformationen

Standard-SMILES: Cl.NCCC(N)=O
InChIKey: GAGJMOQGABUOBK-UHFFFAOYSA-N
Summenformel: C3H9ClN2O
Durchschnittliche Molmasse: 124,57 g/mol
Monoisotopische Masse: 124,0403406

Namen und Bezeichner

Bevorzugter Name: 3-Aminopropanamide hydrochloride
IUPAC: 3-aminopropanamide;hydrochloride
Englischer Name: H-BETA-ALA-NH2 HCL
Summenformel: C3H8N2O.ClH
Molmasse: 124.57

Namen und Synonyme

3-aminopropanamide hydrochlorideRefChem:497766878-069-964017-81-8H-beta-Ala-NH2.HClH-BETA-ALA-NH2 HCL3-Aminopropionamide Hydrochloridebeta-Alaninamide Hydrochloride3-Aminopropanamide HClH-|A-Ala-NH2.HCl3-amino-propionamide hydrochlorideMFCD00060747

Weitere Namen anzeigen

H-β-Ala-NH2.HClβ-Alaninamide Hydrochloride-Ala-Nh2.HclSS-ALA-NH2HCLH-beta-Ala-NH2β- Ala-NH2.HclH-SS-ALA-NH2HCLbeta-Alaninamide3-Aminopropionamide

3-aminopropanamide;hydrochlorideH-beta-Ala-NH2 hydrochloridePropanamide, 3-amino-, hydrochloride (1:1)H-beta-Ala-NH HClH-BETA-ALA-NH2HCLPropanamide, 3-amino-, monohydrochloridebeta-alanine amide hydrochlorideb-Ala-NH2.HCl

Datenbank-Bezeichner

CAS: 64017-81-8
PubChem CID: 22222288
DTXSID: DTXSID70623543
ChEMBL: CHEMBL1222064
EC Number: 878-069-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 69,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 52

Physikochemische Eigenschaften

Schmelzpunkt: 153 °C · 153°C
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Soluble in methanol.
Aggregatzustand: Solid
Farbe: White to Almost white
CAS Datenbank: 64017 · 64017-81-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code: 2924297099
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwendenbeta-Alaninamide hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.