DO3AM-acetic acid

Basic Information

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CAS Number

913528-04-8

Molecular Formula

C16H31N7O5

Molecular Weight

401.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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C1CN(CCN(CCN(CCN1CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)N

InChI

InChI=1S/C16H31N7O5/c17-13(24)9-20-1-3-21(10-14(18)25)5-7-23(12-16(27)28)8-6-22(4-2-20)11-15(19)26/h1-12H2,(H2,17,24)(H2,18,25)(H2,19,26)(H,27,28)

InChIKey

DFPHZEYJGWLQJE-UHFFFAOYSA-N

LogP

-4.251499999999998

Topological Polar Surface Area

179.53 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

528

Synonyms & References

English

DO3AM-acetic acid
2-[4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
DOTAM-mono-acid
SCHEMBL15043622
HY-W717743
2-(4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid
CS-0822849
2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
UNII-253ULX5HV3
G86912
913528-04-8
1,4,7,10-Tetraazacyclododecane-1-acetic acid, 4,7,10-tris(2-amino-2-oxoethyl)-
4,7,10-Tris(2-amino-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1-acetic acid
Dotam-mono acid
253ULX5HV3

FAQ

What are the physical and chemical properties of DO3AM-acetic acid (CAS: 913528-04-8)?

DO3AM-acetic acid (CAS: 913528-04-8) is a white crystalline powder with a molecular weight of approximately 234.2 g/mol. It is slightly soluble in water and has a pKa of about 4.5. Chemically, it is a highly reactive compound, readily forming esters and amides under appropriate conditions.

How is DO3AM-acetic acid (CAS: 913528-04-8) typically synthesized?

DO3AM-acetic acid is synthesized through the acetylation of DO3AM (dodecyl-3-aminomethyl propionic acid) using acetic anhydride in the presence of a catalyst such as pyridine. The reaction is performed under mild conditions, yielding high selectivity and good yield.

What industries use DO3AM-acetic acid (CAS: 913528-04-8)?

DO3AM-acetic acid (CAS: 913528-04-8) is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients, in polymer chemistry for functionalizing surfaces, and in the production of sensors and semiconductors for electronic applications.

What precautions should be taken when handling DO3AM-acetic acid (CAS: 913528-04-8)?

When handling DO3AM-acetic acid (CAS: 913528-04-8), wear appropriate personal protective equipment including gloves, goggles, and a lab coat. Store in a fume hood to avoid inhalation and keep away from heat sources. In case of spill, immediately clean up using appropriate methods and consult the Safety Data Sheet (SDS) for proper disposal procedures.