2,8-ジアザスピロ[4.5]デカン-2-カルボン酸TERT-ブチル

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

HCID 34178604CAS 336191-17-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1
InChIKey: NFNCPNAVNRBDOU-UHFFFAOYSA-N
分子式: C13H24N2O2
平均分子量: 240.34 g/mol
単同位体質量: 240.18377801

名称と識別子

優先名称: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
IUPAC: tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
現地名: 2,8-ジアザスピロ[4.5]デカン-2-カルボン酸TERT-ブチル
英語名: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
分子式: C13H24N2O2
分子量: 240.34

名称と別名

336191-17-4tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylateDTXSID00653030tert-Butyl 2,8-diazaspiro(4.5)decane-2-carboxylateRefChem:383142DTXCID30603780817-976-62,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester2-Boc-2,8-diazaspiro[4.5]decane2-Boc-2,8-diaza-spiro[4.5]decaneMFCD067390562,8-Diazaspiro[4.5]decane-2-carboxylic acid tert-butyl ester

名称をさらに表示

2,8-ジアザスピロ[4.5]デカン-2-カルボン酸TERT-ブチル2-Boc-2,8-diaza-spiro[4.5...2-N-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane, N2-BOC protected2-Boc-2,8-diazaspiro[4.5]decane hemioxalatetert-Butyl 2,8-diazaspiro4.5decan-2-carboxylateert-Butyl2,8-diazaspiro[4.5]decane-2-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-3-carboxylatetert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%

2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE;2-Boc-2,8-Diaza-spiro[4.5]decane;tert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%SCHEMBL484311orb3031657NFNCPNAVNRBDOU-UHFFFAOYSA-NFL0238SBB099302AKOS005069264

データベース識別子

CAS: 336191-17-4
PubChem CID: 34178604
DTXSID: DTXSID00653030
EC Number: 817-976-6

物性

構造計算による物性

XLogP: 1.4
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: 17
形式電荷: 0
複雑度: 290

物理化学的性質

沸点: 337 · 337.0±35.0 °C(Predicted)
比重(密度): 1.07 · 1.07±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 10.97 · 10.97±0.20(Predicted)
外見: solid
色: Off-white to grey
InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
InChIKey: NFNCPNAVNRBDOU-UHFFFAOYSA-N
SMILES: C1C2(CCNCC2)CCN1C(OC(C)(C)C)=O

化学的性質

化学的特性Wihte powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.