(R)-N-BOC-2-メチルピペラジン

tert-Butyl (2R)-2-methylpiperazine-1-carboxylate

HCID 10262201CAS 170033-47-3

部分構造検索類似構造を探す

基本情報

標準SMILES: C[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
分子式: C10H20N2O2
平均分子量: 200.28 g/mol
単同位体質量: 200.15247789

名称と識別子

優先名称: tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl (2R)-2-methylpiperazine-1-carboxylate
現地名: (R)-N-BOC-2-メチルピペラジン
英語名: (R)-1-N-Boc-2-methylpiperazine
分子式: C10H20N2O2
分子量: 200.28

名称と別名

170033-47-3tert-butyl (2R)-2-methylpiperazine-1-carboxylateDTXSID90437487RefChem:382957DTXCID60388311640-907-4(R)-1-N-Boc-2-methylpiperazine(R)-1-Boc-2-Methylpiperazine(R)-tert-butyl 2-methylpiperazine-1-carboxylate(R)-1-BOC-2-METHYL-PIPERAZINE(r)-n-boc-2-methylpiperazine(R)-1-N-Boc-2-methyl piperazine

名称をさらに表示

(R)-N-BOC-2-メチルピペラジン(R)-1-BOC-2-メチルピペラジン(R)-1-N-BOC-2-メチルピペラジン(R)-2-METHYL-1-BOC-PIPERAZINE(N)-1-N-Boc-2-methyl-piperazine(R)-1-N-Boc-2-Methyl piperazine ,98%(2R)-2-Methylpiperazine, N1-BOC protectedTert-Butyl2(R)-methylpiperazine-1-carboxylate

MFCD018621201-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-tert-butyl (R)-2-methylpiperazine-1-carboxylate(R)-1-boc-methylpiperazine(R)-Boc-2-methylpiperazineSCHEMBL103217(R)-1-N-Boc-2-methyl pipera(R)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester

データベース識別子

CAS: 170033-47-3
PubChem CID: 10262201
DTXSID: DTXSID90437487
EC Number: 640-907-4
Nikkaji: J674.085E

物性

構造計算による物性

XLogP: 0.9
極性表面積: 41.6 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: 2
重原子数: 14
形式電荷: 0
複雑度: 211

物理化学的性質

融点: 34 · 34-36 °C
沸点: 268.7 · 268.7±15.0 °C(Predicted)
比重(密度): 0.997 · 0.997±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 8.49 · 8.49±0.40(Predicted)
色: White crrystalline
InChI: InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@H]1C

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 (97.7%): 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 43 reports by companies from 6 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. 2 (100%)；STOT SE 3 (97.7%)

安全データ

ridadr: UN3077
hs_code: 2933599590
hazard_code: Xi

化学と産業

応用分野

使用(R)-1-Boc-2-methylpiperazine is a reagent in the synthesis of potent and bioavailable inhibitors of Na+/H+ enxchanger type 3 used in the treatment of sleep apneas.