CAS 180695-80-1 1,1-Dimethylethyl 4-azido-1-piperidinecarboxylate (HCID 11458794)

基本情報

CAS: 180695-80-1
標準SMILES: CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])CC1
InChIKey: NKZZRYWSQYJWJG-UHFFFAOYSA-N
分子式: C10H18N4O2
平均分子量: 226.28 g/mol
単同位体質量: 226.14297583

名称と識別子

優先名称: 1,1-Dimethylethyl 4-azido-1-piperidinecarboxylate
IUPAC: tert-butyl 4-azidopiperidine-1-carboxylate
英語名: tert-butyl 4-azidopiperidine-1-carboxylate(SALTDATA: FREE)
分子式: C10H18N4O2
分子量: 226.27552

名称と別名

180695-80-1RefChem:4101371,1-Dimethylethyl 4-azido-1-piperidinecarboxylatetert-butyl 4-azidopiperidine-1-carboxylate1-Boc-4-azidopiperidineMFCD160401621-PIPERIDINECARBOXYLIC ACID, 4-AZIDO-, 1,1-DIMETHYLETHYL ESTER4-azido-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-azidopiperidine-1-carboxylate(SALTDATA: FREE)SCHEMBL13593444DTXSID80466544NKZZRYWSQYJWJG-UHFFFAOYSA-N

名称をさらに表示

(1-tert-butoxycarbonyl-4-piperidyl)-diazonio-azanidetert-Butyl 4-azidopiperidine-1-carboxylate - [B73505][1-(tert-butoxy-oxomethyl)-4-piperidinyl]-diazonioazanidediazonio-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanidediazonio-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]azanide

ALBB-0150484-Azido-1-t-butoxycarbonylpiperidine4-Azido-N-t butyloxycarbonylpiperidineAKOS005175018AB70743N-tert-butyloxycarbonyl-4-azidopiperidineDA-09055FB124046

データベース識別子

CAS: 180695-80-1
PubChem CID: 11458794
DTXSID: DTXSID80466544
EC Number: 803-223-9
Nikkaji: J1.097.791F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 43.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 296

物理化学的性質

沸点: 140 · 140-142 °C
貯蔵温度: 0 · Store at 0-8 °C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Oil
色: Colourless
InChI: InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11/h8H,4-7H2,1-3H3
InChIKey: NKZZRYWSQYJWJG-UHFFFAOYSA-N
SMILES: C(=O)(OC(C)(C)C)N1CCC(CC1)N=[N+]=[N-]