1,4,7,10-テトラアザシクロドデカン

1,4,7,10-Tetraazacyclododecane

HCID 64963CAS 294-90-6
部分構造検索類似構造を探す

基本情報

標準SMILES
C1CNCCNCCNCCN1
InChIKey
QBPPRVHXOZRESW-UHFFFAOYSA-N
分子式
C8H20N4
平均分子量
172.27 g/mol
単同位体質量
172.16879664

概要

1,4,7,10-tetraazacyclododecane is an azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. It is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane.

名称と識別子

優先名称
1,4,7,10-Tetraazacyclododecane
IUPAC
1,4,7,10-tetrazacyclododecane
現地名
1,4,7,10-テトラアザシクロドデカン
英語名
Cyclen
分子式
C8H20N4
分子量
172.27

名称と別名

Cyclen1,4,7,10-Tetraazacyclododecane294-90-6tetraaza-12-crown-4CHEBI:37391964584YO2ONSC-629374DTXSID60183621RefChem:129186DTXCID00106112425-450-9608-365-3
名称をさらに表示
1,4,7,10-テトラアザシクロドデカン1,4,7,10-テトラアザシクロドデカンシクレンクリプトフィックス11アザシクレン【Cyclen】サイクレンCyclea racemosa Ning1,4,7,10-TetracyclododecaneGm-DSDR3E1Cyclen,97%Cyclen(M-100)
1,4,7,10-tetrazacyclododecaneMFCD00066281NSC 629374Cyclen, 97%KRYPTOFIX 11 AZA[12]aneN45-26-11-00023 (Beilstein Handbook Reference)MLS000069489

データベース識別子

CAS
294-90-6
PubChem CID
64963
DTXSID
DTXSID60183621
ChEMBL
CHEMBL19880
ChEBI
CHEBI:37391
UNII
964584YO2O
EC Number
425-450-9、608-365-3
Nikkaji
J530.921B

物性

構造計算による物性

XLogP
-2.4
極性表面積
48.1 Ų
水素結合供与体数
4
水素結合受容体数
4
回転可能結合数
0
重原子数
12

物理化学的性質

融点
110 · 110-113 °C (lit.)
沸点
292.61 °C · 292.61°C (rough estimate)
比重(密度)
1.0415 · 1.0415 (rough estimate)
蒸気圧
0.004 Pa · 0.004Pa at 20℃
屈折率
1.5872 · 1.5872 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性almost white to slightly yellow crystalline powder, soluble in methanol, ethanol, dmso and other organic solvents, derived from stephania cepharantha.

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 21-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/30127

1,4,7,10-Tetraazacyclododecane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 件

Acute Tox. 4 (97.9%)

Acute Tox. 4 (100%)

Skin corrosion - category 1B

Acute Tox. 4 *

安全データ

F
3-9-34
wgk
3
rtecs
XA5253000
ridadr
1759
hs_code
29339900
risk_code
36/38-36/37/38

化学と産業

応用分野 · 2 件

使用Cyclen is an azamocrocycle, which can be used in the development of fluorescent nanosensors for the detection of metal ions.

一般的な説明Cyclen is a microcyclic tetramine that can be used as a ligand that forms a co-ordination linkage with the surface metal cations. It can be used as a synthetic precursor. It can be prepared by S-alkylation of dithiooxamide with an excess amount of bromoethane.

上流・下流製品情報

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