methyl (3R)-3-aminobutanoate hydrochloride

HCID 53487347

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 139243-54-2
標準SMILES: COC(=O)C[C@@H](C)N.Cl
InChIKey: YNRQJTGGWNTZLJ-PGMHMLKASA-N
分子式: C5H12ClNO2
平均分子量: 153.61 g/mol
単同位体質量: 153.0556563

名称と識別子

優先名称: methyl (3R)-3-aminobutanoate hydrochloride
IUPAC: methyl (3R)-3-aminobutanoate;hydrochloride
英語名: Butanoic acid, 3-aMino-, Methyl ester, hydrochloride, (R)-
分子式: C5H12ClNO2
分子量: 153.61

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 52.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 82

物理化学的性質

貯蔵温度: 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|

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2922498590

化学と産業

上流・下流製品情報

上流原料

サプライヤー75 社

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]

化合物ノート

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