methyl (3R)-3-aminobutanoate hydrochloride

HCID 53487347
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Grundinformationen

CAS
139243-54-2
Standard-SMILES
COC(=O)C[C@@H](C)N.Cl
InChIKey
YNRQJTGGWNTZLJ-PGMHMLKASA-N
Summenformel
C5H12ClNO2
Durchschnittliche Molmasse
153,61 g/mol
Monoisotopische Masse
153,0556563

Namen und Bezeichner

Bevorzugter Name
methyl (3R)-3-aminobutanoate hydrochloride
IUPAC
methyl (3R)-3-aminobutanoate;hydrochloride
Englischer Name
Butanoic acid, 3-aMino-, Methyl ester, hydrochloride, (R)-
Summenformel
C5H12ClNO2
Molmasse
153.61

Namen und Synonyme

139243-54-2methyl (3R)-3-aminobutanoate hydrochlorideRefChem:812291816-356-2(R)-Methyl 3-aminobutanoate hydrochlorideMFCD12068616Methyl (R)-homo-beta-alaninate HClmethyl (3R)-3-aminobutanoate;hydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3R)-Methyl (R)-3-Aminobutanoate HydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride, (R)-R-3-amino-Butanoic acid methyl ester hydrochloride
Weitere Namen anzeigen
R-3-ABU-OME HCl(R)-β-HomoAla-OMe.HCl(3R)-Methyl 3-aminobutanoate HCl(R)-3-AMINO-BUTYRIC ACID METHYL ESTER HClMethyl (R)-Homo-Beta-Alaninate Hydrochloride
(R)-3-aminobutanoic acid methyl ester hydrochlorideSCHEMBL7327737YNRQJTGGWNTZLJ-PGMHMLKASA-NMethyl (3R)-3-aminobutanoate HClPFA24354AKOS025405204(R)-Methyl3-aminobutanoatehydrochlorideDS-9006

Datenbank-Bezeichner

CAS
139243-54-2
PubChem CID
53487347
EC Number
816-356-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
52,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
9

Physikochemische Eigenschaften

storage temp.
Sealed in dry,Room Temperature
InChI
InChI=1/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/s3
InChIKey
YNRQJTGGWNTZLJ-NDILARRWNA-N
SMILES
C(=O)(OC)C[C@H](N)C.Cl |&1:5,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2922498590

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter75 Anbieter

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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