(ピロリジン-1-イル)酢酸塩酸塩

2-(Pyrrolidin-1-yl)acetic acid hydrochloride

HCID 13022016CAS 6628-74-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.O=C(O)CN1CCCC1
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
分子式: C6H12ClNO2
平均分子量: 165.62 g/mol
単同位体質量: 165.0556563

名称と識別子

優先名称: 2-(Pyrrolidin-1-yl)acetic acid hydrochloride
IUPAC: 2-pyrrolidin-1-ylacetic acid;hydrochloride
現地名: (ピロリジン-1-イル)酢酸塩酸塩
英語名: 2-pyrrolidin-1-ylacetic acid
分子式: C6H12ClNO2
分子量: 165.62

名称と別名

2-(Pyrrolidin-1-Yl)Acetic Acid HydrochlorideRefChem:462186811-498-16628-74-6Pyrrolidin-1-yl-acetic acid hydrochloridepyrrolidin-1-ylacetic acid hydrochloride(pyrrolidin-1-yl)acetic acid hydrochloride2-pyrrolidin-1-ylacetic acidMFCD068012742-pyrrolidin-1-ylacetic acid;hydrochlorideNSC108221NSC-108221

名称をさらに表示

(ピロリジン-1-イル)酢酸塩酸塩ピロリジン-1-イル酢酸塩酸塩2-(Pyrrolidin-1-yl)Eravacycline intermediate E1-Pyrrolidineacetic acid(HCl)Pyrrolidin-1-yl-acetic acid, HClCinepazide Impurity 20 Hydrochloride2- (1-pyrrolidinyl) acetic acid (HCl)(4,5-diphenyl-1,3-oxazol-2-yl)hydrazineEravacycline Impurity 22(Hydrochloride)

EN300-41375F21166Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR1-Pyrrolidineacetic acid, hydrochloride2-(pyrrolidin-1-yl)acetic acid HCl2-(pyrrolidin-1-yl)aceticacidhydrochlorideSCHEMBL1375922DTXSID40515421

データベース識別子

CAS: 6628-74-6
PubChem CID: 13022016
DTXSID: DTXSID40515421
EC Number: 811-498-1

物性

構造計算による物性

極性表面積: 40.5 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: 10
形式電荷: 0
複雑度: 108

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
SMILES: C(N1CCCC1)C(=O)O.Cl

化学的性質

化学的特性White crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 41-36/37/38
safety_code: 39-45-36/37/39-26-22-3/7
hazard_class: IRRITANT
Hazard Classifications: Eye Dam. 1
ストレージクラス: 13 - Non Combustible Solids

化学と産業

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