4-ベンジル-2-メチルピペラジン-1-カルボン酸TERT-ブチル

tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate

HCID 15087789CAS 120737-77-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
分子式: C17H26N2O2
平均分子量: 290.4 g/mol
単同位体質量: 290.19942808

名称と識別子

優先名称: tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylate
現地名: 4-ベンジル-2-メチルピペラジン-1-カルボン酸TERT-ブチル
英語名: 1-Benzyl-4-Boc-piperazine
分子式: C17H26N2O2
分子量: 290.4

名称と別名

120737-77-1tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylateDTXSID00568014RefChem:383588DTXCID705187884-BENZYL-2-METHYLPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Piperazinecarboxylicacid, 2-methyl-4-(phenylmethyl)-, 1,1-dimethylethyl esterTERT-BUTYL-4-BENZYL-2(R)-METHYL-PIPERAZINECARBOXYLATEMFCD03265484SCHEMBL3664002ZPDZNQZBTLCTDV-UHFFFAOYSA-NAB3317

名称をさらに表示

4-ベンジル-2-メチルピペラジン-1-カルボン酸TERT-ブチルtert-ブチル 4-ベンジル-2-メチルピペラジン-1-カルボキシラート2-メチル-4-ベンジルピペラジン-1-カルボン酸tert-ブチルtert-ブチル 4-ベンジルピペラジン-1-カルボキシラート1-ベンジル-4-Boc-ピペラジン1-(tert-ブトキシカルボニル)-4-ベンジルピペラジン1-ベンジル-4-(tert-ブトキシカルボニル)ピペラジンBUTTPARK 146\06-234-BENZYL-1-BOC-PIPERAZINE1-Benzyl-4-Boc-piperazine4-Benzyl-1-Boc-2-methylpiperazine,97%4-BENZYL-1-T-BUTOXYCARBONYLPIPERAZINE4-Benzyl-1-Boc-2-Methylpiperazine, 97%TERT-BUTYL 4-BENZYL-1-PIPERAZINECARBOXYLATE4-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AKOS005256165AB14249DA-09418CS-0324801AU-004/43508705F334060tert-butyl 4-benzyl-2-methyl-1-piperazinecarboxylatetert-butyl 4-benzyl-2-methyl-piperazine-1-carboxylate

データベース識別子

CAS: 120737-77-1
PubChem CID: 15087789
DTXSID: DTXSID00568014
EC Number: 692-579-7
Nikkaji: J2.686.132B

物性

構造計算による物性

XLogP: 2.9
極性表面積: 32.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 345

物理化学的性質

融点: 71 · 71-73 °C(lit.)
外見: solid
InChI: 1S/C17H26N2O2/c1-14-12-18(13-15-8-6-5-7-9-15)10-11-19(14)16(20)21-17(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
SMILES: N2(CC(N(CC2)C(=O)OC(C)(C)C)C)Cc1ccccc1

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 (100%): 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 4 reports by companies from 1 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.