4-(ヒドロキシメチル)ピペリジン-1-カルボン酸ベンジル

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

HCID 736490CAS 122860-33-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(OCc1ccccc1)N1CCC(CO)CC1
InChIKey: LINIORCIRVAZSM-UHFFFAOYSA-N
分子式: C14H19NO3
平均分子量: 249.3 g/mol
単同位体質量: 249.13649347

名称と識別子

優先名称: Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
現地名: 4-(ヒドロキシメチル)ピペリジン-1-カルボン酸ベンジル
英語名: 1-Cbz-4-hydroxymethylpiperidine
分子式: C14H19NO3
分子量: 249.31

名称と別名

122860-33-7benzyl 4-(hydroxymethyl)piperidine-1-carboxylateDTXSID90353037RefChem:328495DTXCID90304100675-939-81-Cbz-4-hydroxymethylpiperidineN-Cbz-4-(hydroxymethyl)piperidinen-cbz-4-piperidinemethanol1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-, phenylmethyl esterMFCD020944901-N-Cbz-hydroxymethyl-piperidine

名称をさらに表示

4-(ヒドロキシメチル)ピペリジン-1-カルボン酸ベンジルbenzyl 4-(hydroxymethyl)piperidine-N-carboxylateZ-PIC(4)-OLZ-ISONIPECOTINOLBUTTPARK 75\50-51Z-ISONICOT(H6)-OLN-Cbz-4-(hydroxymethyLN- Cbz-4-piperidinemethanolN-CARBOBENZOXY-4-PIPECOLINOL

1-n-cbz-4-hydroxymethyl-piperidine1-cbz-4-hydroxy methyl piperidinebenzyl 4-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Benzyl Ester4-hydroxymethylpiperidine-1-carboxylic acid benzyl ester1-cbz-4-hydroxymethyl-piperidinephenylmethyl 4-(hydroxymethyl)piperidinecarboxylate1-n-cbz-4-hydroxymethylpiperidine

データベース識別子

CAS: 122860-33-7
PubChem CID: 736490
DTXSID: DTXSID90353037
EC Number: 675-939-8

物性

構造計算による物性

XLogP: 1.7
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 256

物理化学的性質

沸点: 396.4 · 396.4±25.0 °C(Predicted)
比重(密度): 1.162 · 1.162±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 14.94 · 14.94±0.10(Predicted)
CAS データベース: 122860 · 122860-33-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39

化学と産業

応用分野 · 1 件

使用1-N-Cbz-hydroxymethyl-piperidine is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists.