[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid

Basic Information

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CAS Number

67774-91-8

Molecular Formula

C9H28N3O15P5

Molecular Weight

573.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

1003.3°C at 760 mmHg

Density

1.35 (50% aq.)

Flash Point

560.6°C

Refractive Index

1.628

SMILES

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C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)

InChIKey

DUYCTCQXNHFCSJ-UHFFFAOYSA-N

LogP

-2.4315999999999995

Topological Polar Surface Area

297.37 Å²

Hydrogen Bond Donor/Acceptor

10 / 18

Complexity

720

Synonyms & References

English

Diethylenetriaminepenta(methylenephosphonic) acid

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Molecular Formula: C9H7BrN2

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[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid | CAS No. 67774-91-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Density

Flash Point

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

Related Compounds

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