11-アジド-3,6,9-トリオキサウンデカン-1-アミン

1-Amino-11-azido-3,6,9-trioxaundecane

HCID 2735280

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 134179-38-7
標準SMILES: [N-]=[N+]=NCCOCCOCCOCCN
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
分子式: C8H18N4O3
平均分子量: 218.25 g/mol
単同位体質量: 218.13789044

名称と識別子

優先名称: 1-Amino-11-azido-3,6,9-trioxaundecane
IUPAC: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine
現地名: 11-アジド-3,6,9-トリオキサウンデカン-1-アミン
英語名: 11-Azido-3 6 9-trioxaundecan-1-amine
分子式: C8H18N4O3
分子量: 218.25

名称と別名

134179-38-71-Amino-11-azido-3,6,9-trioxaundecaneDTXSID60370655RefChem:227480DTXCID80321689629-285-5Azido-PEG3-AmineAmino-PEG3-C2-Azido11-Azido-3,6,9-trioxaundecan-1-amine1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethaneN3-PEG3-CH2CH2NH22-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine

名称をさらに表示

11-アジド-3,6,9-トリオキサウンデカン-1-アミン11-アミノ-3,6,9-トリオキサウンデカニルアジドアジド-PEG3-アミンアミノ-PEG3-アジドAZIDO-DPEG®₃-AMINEN3-PEG3-NH2Amino-PEG3-azideAmino-PEG4-Azide93.0%(GC&H2N-PEG(3)-N3Azido-PEG3-NH2

MFCD0026987411-AZIDO-3 6 9-TRIOXAUNDECAN-1-AMINEEthanamine, 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-11-AZIDO-3,6,9-TRIOXAUNDECYLAMINEC8H18N4O32-(2-(2-(2-AZIDOETHOXY)ETHOXY)ETHOXY)ETHANAMINE2-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}ethanamine2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethan-1-amine

データベース識別子

CAS: 134179-38-7
PubChem CID: 2735280
DTXSID: DTXSID60370655
UNII: RN75JU5PFC
EC Number: 629-285-5
Nikkaji: J401.961J

物性

構造計算による物性

XLogP: -0.3
極性表面積: 68.1 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 11
重原子数: 15
形式電荷: 0
複雑度: 173

物理化学的性質

沸点: 198 · 198-202°C
比重(密度): 1.1 g/mL · 1.10 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.470
貯蔵温度: Amber Vial, Refrigerator, Under Inert Atmosphere
溶解性: miscible with water, polar organic solvents
外見: 粘性液体
酸解離定数(Pka): 8.74 · 8.740±0.10(predicted)
色: 黄色～薄茶色
BRN: 4745506 · 4745506
安定性: Light Sensitive
InChI: InChI=1S/C8H18N4O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-9H2
InChIKey: FPVCVHVTMPCZTH-UHFFFAOYSA-N
SMILES: C(OCCOCCN)COCCN=[N+]=[N-]

化学的性質

化学的特性Very Pale Yellow Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

安全データ

F: 10-34
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29299090
risk_code: 34
消防法: 危-4-3-III
hazard_code: C,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用A PEG derivative, which contains a free amine that can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate) and an azide that can be reduced to an amine for conjugation to other molecules. PEG derivatives are water soluble. Bifunctional water soluble compounds with flexible dimensions allow for conjugation of small molecules to proteins or molecular probes. 1-amino-11-azido-3,6,9-trioxaundecane can be reacted with small organic molecules for the synthesis of heterobifunctional compounds. It has been used to synthesize a mannose-fluorescein conjugate for the study of cell-surface mannose-specific lectins.