1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakis(methylenephosphonic acid)

Basic Information

View in Editor

CAS Number

91987-74-5

Molecular Formula

C12H32N4O12P4

Molecular Weight

548.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

280 ºC (dec.)

Boiling Point

921.6°C at 760 mmHg

Density

1.622

SMILES

View in Editor

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

Topological Polar Surface Area

243.07999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

634

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

((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