Tert-butyl 1-oxo-8-azaspiro(4.5)decane-8-carboxylate

HCID 10848487

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基本情報

CAS: 191805-29-5
標準SMILES: CC(C)(C)OC(=O)N1CCC2(CCCC2=O)CC1
InChIKey: VFNVAGFIJXCMPA-UHFFFAOYSA-N
分子式: C14H23NO3
平均分子量: 253.34 g/mol

名称と識別子

優先名称: Tert-butyl 1-oxo-8-azaspiro(4.5)decane-8-carboxylate
IUPAC: tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate
英語名: tert-butyl 1-oxo-8-azaspiro[4.5]decane-8-carboxylate
分子式: C14H23NO3
分子量: 253.34

名称と別名

191805-29-5TERT-BUTYL 1-OXO-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATETert-butyl 1-oxo-8-azaspiro(4.5)decane-8-carboxylateRefChem:892114831-179-0Tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylateMFCD180740858-Boc-1-oxo-8-aza-spiro[4.5]decane8-Boc-8-azaspiro[4.5]decan-1-oneSCHEMBL47742161-Oxo-8-aza-sAKOS025146832

名称をさらに表示

EOS-614158-Boc-1-oxo-8-aza-spiro[4.5]decane - X10537tert-Butyl 1-oxo-8-azaspiro[4.5]decane-8-carboxy1,1-diMethylethyl 1-oxo-8-azaspiro[4.5]decane-8-carboxylate2-Cyano-1-oxo-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester8-Azaspiro[4.5]decane-8-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester

CS-W000610DS-8963PB12906SY059493DB-093063EN300-314666F465167TERT-BUTYL1-OXO-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE

データベース識別子

CAS: 191805-29-5
PubChem CID: 10848487
EC Number: 831-179-0

物性

構造計算による物性

XLogP: 1.6
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: 2
重原子数: 18
形式電荷: 0
複雑度: 349

物理化学的性質

沸点: 365 · 365.0±35.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -0.82 · -0.82±0.20(Predicted)
InChI: InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11(14)16/h4-10H2,1-3H3
InChIKey: VFNVAGFIJXCMPA-UHFFFAOYSA-N
SMILES: C1(=O)C2(CCN(C(OC(C)(C)C)=O)CC2)CCC1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.