1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(methylenephosphonic acid)（CAS号：91987-74-5）

1,4,7,10-四氮杂环十二烷-1,4,7,10-四基-四(甲基磷酸)

基本信息

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CAS号

91987-74-5

分子式

C12H32N4O12P4

分子量

548.3 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药杀虫剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

280 ºC (dec.)

沸点

921.6°C at 760 mmHg

密度

1.622

SMILES

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C1CN(CCN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H32N4O12P4/c17-29(18,19)9-13-1-2-14(10-30(20,21)22)5-6-16(12-32(26,27)28)8-7-15(4-3-13)11-31(23,24)25/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)

InChIKey

RCXMQNIDOFXYDO-UHFFFAOYSA-N

LogP

-2.251199999999995

拓扑极性表面积

243.07999999999998 Å²

氢键供体/受体

8 / 16

复杂度

634

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

((1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(methylene))tetraphosphonic acid
((1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)-tetrakis(methylene))tetraphosphonic acid
[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAYL-TETRAKIS(METHYLPHOSPHONIC ACID)
Phosphonic acid,P,P',P'',P'''-[1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene)]tetrakis-
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetramethylenephosphonic acid
DOTMP
65F5KPT4JK
NSC681106
C12H32N4O12P4
Cyclen phosphonic acid
1,4,7,10-Tetraazacyclododecane, phosphonic acid deriv. (ZCI)
P,P′,P′′,P′′′-[1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene)]tetrakis[phosphonic acid] (ACI)
Phosphonic acid, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene)]tetrakis- (9CI)
((1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(methylene))tetraphosphonicacid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(methylenephosphonic acid)
1,4,7,10-Tetraazacyclododecane-N,N′,N′′,N′′′-tetramethylenephosphonic acid
DOTP
N,N′,N′′,N′′′-Tetrakis(phosphonomethyl)-1,4,7,10-tetraazacyclododecane
NSC 681106
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl-tetrakis(methylphosphonic acid)
NCI60_028932
Phosphonic acid, (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene))tetrakis-
DB-327554
NS00070010
{[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}phosphonic acid
((1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(methylene))tetrakis(phosphonic acid)
SCHEMBL336769
Q27263874
CS-0155232
MFCD01863112