CAS 142374-19-4 tert-Butyl 4-(2-oxoethyl)piperidine-1-carboxylate (HCID 10353694)

基本情報

CAS: 142374-19-4
標準SMILES: CC(C)(C)OC(=O)N1CCC(CC=O)CC1
InChIKey: PSRHRFNKESVOEL-UHFFFAOYSA-N
分子式: C12H21NO3
平均分子量: 227.3 g/mol
単同位体質量: 227.15214353

名称と識別子

優先名称: tert-Butyl 4-(2-oxoethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate
現地名: N-BOC-4-(2-OXOETHYL)PIPERIDINE
英語名: N-Boc-4-piperidineacetaldehyde
分子式: C12H21NO3
分子量: 227.3

名称と別名

142374-19-4Tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylateDTXSID80438584RefChem:383479DTXCID80389406626-367-2N-Boc-4-piperidineacetaldehydeMFCD034252582-(n-boc-4-piperidinyl)acetaldehyde4-(2-oxoethyl)piperidine-1-carboxylic acid,tert-butyl ester1-PIPERIDINECARBOXYLIC ACID, 4-(2-OXOETHYL)-, 1,1-DIMETHYLETHYL ESTER4-(2-Oxoethyl)piperidine-1-carboxylic Acid tert-Butyl Ester

名称をさらに表示

N-BOC-4-(2-OXOETHYL)PIPERIDINEtert-Butyl 4-(2-oxoethyl)N,N,3,10-tetramethylanilineBoc-4-piperidineacetaldehyde1-Boc-4-(2-oxo-ethyl)piperidine1-PIPERIDINE CARBOXYLIC ACID, 4-(2N-Boc-4-piperidineacetaldehyde 97%

N-BOC-PIPERIDINYL-4-ACETALDEHYDEZ10657260981,1-dimethylethyl 4-(2-oxoethyl)-1-piperidinecarboxylate4-(2-Oxo-ethyl)-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-(formylmethyl)piperidine-1-carboxylateFT-06493561-(tert-Butoxycarbonyl)piperidine-4-acetaldehydetert-Butyl4-(2-oxoethyl)piperidine-1-carboxylate

データベース識別子

CAS: 142374-19-4
PubChem CID: 10353694
DTXSID: DTXSID80438584
EC Number: 626-367-2
Nikkaji: J2.669.882K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 46.6 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: 16
形式電荷: 0
複雑度: 249

物理化学的性質

融点: 38 · 38-42 °C
沸点: 318.1 · 318.1±15.0 °C(Predicted)
比重(密度): 1.035 · 1.035±0.06 g/cm3(Predicted)
闪点: 110 ℃ · >110℃
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: solid
酸解離定数(Pka): -1.62 · -1.62±0.40(Predicted)
主な用途: ペプチド合成
InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3
InChIKey: PSRHRFNKESVOEL-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CC=O)CC1

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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.