1-アミノシクロペンタンカルボン酸メチル塩酸塩

Methyl 1-amino-1-cyclopentanecarboxylate, HCl

HCID 11513856

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 60421-23-0
標準SMILES: COC(=O)C1(N)CCCC1.Cl
InChIKey: OPUJUITUYWGUEP-UHFFFAOYSA-N
分子式: C7H14ClNO2
平均分子量: 179.64 g/mol
単同位体質量: 179.0713064

名称と識別子

優先名称: Methyl 1-amino-1-cyclopentanecarboxylate, HCl
IUPAC: methyl 1-aminocyclopentane-1-carboxylate;hydrochloride
現地名: 1-アミノシクロペンタンカルボン酸メチル塩酸塩
英語名: Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride
分子式: C7H14ClNO2
分子量: 179.64

名称と別名

RefChem:812642Methyl 1-amino-1-cyclopentanecarboxylate, HCl820-764-660421-23-0methyl 1-aminocyclopentanecarboxylate hydrochlorideMethyl 1-amino-1-cyclopentanecarboxylate hydrochlorideMethyl 1-aminocyclopentane-1-carboxylate HydrochlorideMFCD03840364Cycloleucine Methyl Ester Hydrochloridemethyl 1-aminocyclopentane-1-carboxylate;hydrochlorideMethyl 1-amino-1-cyclopentanecarboxylate HClCyclopentanecarboxylic acid, 1-amino-, methyl ester, hydrochloride

名称をさらに表示

1-アミノシクロペンタンカルボン酸メチル塩酸塩シクロロイシンメチル塩酸塩シクロロイシンメチルエステル塩酸塩Nsc161119AC5C-OMe HClcycloeucinemethyl ester HCLCycloleucine Methyl EsteroHClCYCLOLEUCINE METHYL ESTER HCLmethyl 1-aminocyclopentanecarboxylate, HClMethyl-1-aminocyclopentanecarboxylate hydrochloride

AKOS015894247methyl 1-aminocyclopen tanecarboxylate hydrochloride1-Aminocyclopentanecarboxylic Acid Methyl Ester HydrochlorideMethyl 1-aminocyclopentane-1-carboxylate--hydrogen chloride (1/1)METHYL 1-AMINOCYCLOPENTYLCARBOXYLATE HCLF2147-0946Cycloeucine methyl ester hydrochlorideSCHEMBL485571

データベース識別子

CAS: 60421-23-0
PubChem CID: 11513856
DTXSID: DTXSID70467828
EC Number: 820-764-6

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: 2
重原子数: 11
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 207 · 207-208 °C (decomp)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Almost white
InChI: InChI=1S/C7H13NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3
InChIKey: VLNNACMZTDZCFH-UHFFFAOYSA-N
SMILES: C1(N)(CCCC1)C(=O)OC

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.