1,4-ジ-BOC-ピペラジン-2-カルボン酸

1,4-Di-Boc-piperazine-2-carboxylic acid

HCID 11255979

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 181955-79-3
標準SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1
InChIKey: IIZGWFQKLVCLLA-UHFFFAOYSA-N
分子式: C15H26N2O6
平均分子量: 330.38 g/mol

名称と識別子

優先名称: 1,4-Di-Boc-piperazine-2-carboxylic acid
IUPAC: 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
現地名: 1,4-ジ-BOC-ピペラジン-2-カルボン酸
英語名: 1,4-BIS(N-BOC)PIPERAZINE-2-CARBOXYLIC ACID
分子式: C15H26N2O6
分子量: 330.38

名称と別名

181955-79-31,4-di-Boc-piperazine-2-carboxylic acidRefChem:416636694-485-11,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-N-Boc-4-N-Boc-Piperazine-2-carboxylic acid1,4-Bis(N-Boc)piperazine-2-carboxylic acidMFCD021791151,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic AcidCS-W008592C15H26N2O61,4-Di-Boc-piperazine-2-carboxylic acid, 97%

名称をさらに表示

1,4-ジ-BOC-ピペラジン-2-カルボン酸Piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester1,4-Bis(N-boc)piperazine-2-carboxylicaci1,4-Bis(Boc)-2-piperazinecarboxylic Acid1,4-bis-Boc-piperazine-2-carboxylic acid1,4-Di-Boc-piperazine-2-carboxylic acid 97%1,4-DI-BOC-PIPERAZINE-2-(+/-)-CARBOXYLIC ACID1,4-Di-Boc-piperazine-2-carboxylic acid, 97.5%1,2,4-Piperazinetricarboxylic acid 1,4-bis(tert-butyl) ester

N,N'-Di-tert-butyloxycarbonylpiperazine-2-carboxylic acid1,4-bis[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid1,4-Di-Boc-piperazine-2-carboxylicacid(R)-1,4-Bis(Boc)-2-piperazinecarboxylic AcidA4027FT-0653912SCHEMBL222271,4-BIS(N-BOC)PIPERAZINE-2-CARBOXYLICACID

データベース識別子

CAS: 181955-79-3
PubChem CID: 11255979
EC Number: 694-485-1
Nikkaji: J2.438.935I

物性

構造計算による物性

XLogP: 1.4
極性表面積: 96.4 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 23
形式電荷: 0
複雑度: 477

物理化学的性質

融点: 142 · 142-148°C
沸点: 443.9 · 443.9±40.0 °C(Predicted)
比重(密度): 1.2 · 1.200±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.7 · 3.70±0.20(Predicted)
外見: solid
InChI: 1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChIKey: IIZGWFQKLVCLLA-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)C(O)=O)C(=O)OC(C)(C)C

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.