1,4,7,10-Tetraazacyclododecane (HCID 64963)

개요

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.

이름 및 식별자

우선 이름: 1,4,7,10-Tetraazacyclododecane
IUPAC: 1,4,7,10-tetrazacyclododecane
현지명: 사이클렌
영어명: Cyclen
분자식: C8H20N4
분자량: 172.27

이름 및 동의어

Cyclen1,4,7,10-Tetraazacyclododecane294-90-6tetraaza-12-crown-4CHEBI:37391964584YO2ONSC-629374DTXSID60183621RefChem:129186DTXCID00106112425-450-9608-365-3

이름 더 보기

사이클렌씨클렌1,4,7,10-테트라아자사이클로도디케인Cyclea 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.4
극성 표면적: 48.1 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 65.1

물리화학적 성질

녹는점: 110 · 110-113 °C (lit.)
끓는 점: 292.61 °C · 292.61°C (rough estimate)
밀도: 1.0415 · 1.0415 (rough estimate)
증기압: 0.004 Pa · 0.004Pa at 20℃
굴절률: 1.5872 · 1.5872 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.53 · 10.53±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 거의 흰색에서 약간 노란색
수용성: 거의 투명함
BRN: 606114 · 606114
안정성: 흡습성
InChI: 1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKey: QBPPRVHXOZRESW-UHFFFAOYSA-N
SMILES: C1CNCCNCCNCCN1
LogP: -0.63 at · -0.63 at 20℃

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 2건

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 · 4건

Acute Tox. 4 (97.9%)

Acute Tox. 4 (100%)

Skin corrosion - category 1B

Acute Tox. 4 *

안전 데이터

wgk: 3
rtecs: XA5253000
ridadr: 1759
HS 번호: 29339900
risk_code: 36/38-36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 8
F 고인화성물질: 3-9-34
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 2건

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

일반 설명Cyclen 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.

상·하류 제품 정보

상류 원료

하류 제품

트리-터트-부틸14710-테트라아자사이클로드 에틸렌디아민 DOTA

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东龙辰药业有限公司15964061209 15964061209 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

杭州言鼎生物医药科技有限公司18989469219 · [email protected]

연결된 노트

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사이클렌

기본 정보

개요