CAS 10045-25-7 Cyclen tetrahydrochloride (HCID 11652630)

기본 정보

CAS: 10045-25-7
표준 SMILES: C1CNCCNCCNCCN1.Cl.Cl.Cl.Cl
InChIKey: SBWLCGZEBQGYRP-UHFFFAOYSA-N
분자식: C8H24Cl4N4
평균 분자량: 318.1 g/mol
단동위원소 질량: 316.075508

이름 및 식별자

우선 이름: Cyclen tetrahydrochloride
IUPAC: 1,4,7,10-tetrazacyclododecane;tetrahydrochloride
현지명: 사이클렌 테트라하이드로클로라이드
영어명: 1,4,7,10-Tetraazacyclododecane tetrahydrochloride
분자식: C8H21ClN4
분자량: 208.73

이름 및 동의어

10045-25-7Cyclen tetrahydrochloride1,4,7,10-Tetraazacyclododecane, tetrahydrochlorideCyclen tetrahydrochloride [MI]UNII-51830Y7TIX51830Y7TIXDTXSID70143291NSC 249332NSC-249332RefChem:129187DTXCID9065782600-097-5

이름 더 보기

사이클렌테트라하이드로클로라이드사이클렌 테트라하이드로클로라이드Cyclen tetrahydrochloride,98%Cycle hydrochloride1,4,7,10-TetraazacycLododecane tetrahydrochLCyclotenine hydrochlorideRing-shaped Tengning tetrahydrochlorideGadobutrol Impurity 38 (Cyclen TetraHCl)

1,4,7,10-Tetraazacyclododecane tetrahydrochlorideTetraaza-12-crown-4 tetrahydrochloride1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)MFCD000684841,4,7,10-tetrazacyclododecane;tetrahydrochlorideCyclen tetrahydrochloride, 98%AKOS015899824Cyclen-4HCl

데이터베이스 식별자

CAS: 10045-25-7
PubChem CID: 11652630
DTXSID: DTXSID70143291
UNII: 51830Y7TIX
EC Number: 600-097-5

물성

구조 계산 물성

극성 표면적: 48.1 Å²
수소 결합 공여자 수: 8
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 65.1

물리화학적 성질

녹는점: 297 · 297-300 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정질 고체
색상: 하얀색
InChI: InChI=1S/C8H20N4.ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;/h9-12H,1-8H2;1H
InChIKey: FCBMQXSGMDFCSC-UHFFFAOYSA-N
SMILES: C1NCCNCCNCCNC1.Cl

화학적 성질

white crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: Cyclen tetrahydrochloride (EC: 600-097-5)

Hazard Classes and CategoriesAcute Tox. 4 (18.4%)

안전 데이터

wgk: 3
rtecs: XA5253000
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 9
F 고인화성물질: 10-21

화학 및 산업

응용 분야 · 2건

용도Cyclen tetrahydrochloride may be used for the synthesis of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methyleneethylphosphinic acid), a new macrocyclic polyaza polyphosphinate ligand. It may also be used in the synthesis of anthraquinone-pendant cyclen.

일반 설명Cyclen tetrahydrochloride is a macrocycle hydrochloride salt. It can be synthesized using perhydro-2a,4a,6a,8a-tetraazacyclopenteno[1,3-f,g]acenaphthylene as a precursor. Cyclen tetrahydrochloride has an orthorhombic crystal structure. Cations are reported to exhibit crystallographic two-fold rotation symmetry and [3333] quadrangular conformation, having protonated N atoms at corner positions. Synthesis of cyclen from the corresponding butanedione-protected linear tetramines has been reported.