1,4,8,11-Tetraazacyclotetradecane

CYCLAM · Plerixafor intermediate · jm1498 · Cyclam, 98+% · otetradecane · Compound PDK0168 · Valine Impurity 134 · 1,4,8,11-TetraazacycL

https://huagongshe.com/ko/chemical/64964

1,4,8,11-Tetraazacyclotetradecane 분자 구조식

식별자 및 물리적 특성

CAS No.	295-37-4
분자식	C10H24N4
평균 분자량	200.32 g/mol
단동위원소 질량	200.20009677 g/mol
SMILES	C1CNCCNCCCNCCNC1
InChIKey	MDAXKAUIABOHTD-UHFFFAOYSA-N
PubChem CID	64964
ChEMBL	CHEMBL125150
ChEBI	CHEBI:37401
EC No.	206-039-1
DTXSID	DTXSID30183698

화학 및 물리적 성질

XLogP	-1.6
극성 표면적	48.1
수소 결합 공여자 수	4
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	92.7
물질 분류	Nitrogen Compounds -> Amines, Cyclic
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
Physical Description	White crystalline solidHygroscopic[Alfa Aesar MSDS]
녹는점	184-186 °C (lit.)
끓는 점	328.07°C (rough estimate)
밀도	1.0203 (rough estimate)
굴절률	1.5200 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	디클로로메탄 또는 메탄올에 용해됨
pKa(산도 계수)	10.90±0.20(Predicted)
물리적 상태	푹신한 바늘 모양의 결정성 분말
색상	하얀색
용해도	물에 용해됩니다.
BRN	111811
InChI	InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
InChIKey	MDAXKAUIABOHTD-UHFFFAOYSA-N
SMILES	N1CCCNCCNCCCNCC1

화학적 성질

white fluffy needle-like crystalline powder

안전 및 규제

GHS 분류	WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	1,4,8,11-Tetraazacyclotetradecane: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes convulsions in intraperitoneal lethal-dose studies of mice (LD50 = 371 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (98%)
수질 위해 등급(WGK)	3
RTECS 번호	XA5254800
독성	LD50 intraperitoneal in mouse: 371mg/kg
관세 코드	29339900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
F 고인화성물질	3-9-34
위험 등급	Eye Irrit. 2Skin Irrit. 2
저장 분류	11 - Combustible Solids

용도

1,4,8,11-Tetraazacyclotetradecane is macrocyclic ligand that is used as an antioxidant in rubber and has been shown to suppress oxidation catalyzed by some metal ions.

일반 설명

1,4,8,11-Tetraazacyclotetradecane is an azamacrocycle that forms more stable metal complexes as compared to open chain ligands.