1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)

Basic Information

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CAS Number

110078-46-1

Molecular Formula

C28H54N8

Molecular Weight

502.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

122-125°C

Boiling Point

657.5°C at 760 mmHg

SMILES

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C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2

InChIKey

YIQPUIGJQJDJOS-UHFFFAOYSA-N

LogP

0.4158000000000071

Topological Polar Surface Area

78.66 Å²

Hydrogen Bond Donor/Acceptor

6 / 8

Complexity

456

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Q905835
HHA & AMD-3100
CHEMBL18442
Plerixafor [USAN]
AMD-3100
1-((4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl)methyl)-1,4,8,11-tetrazacyclotetradecane
YIQPUIGJQJDJOS-UHFFFAOYSA-N
1,1''''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}
Z1889837352
NS00004748
s8030
SID791
Plerixafor (JAN/USAN/INN)
1-({4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
JM 3100
JM-3100
EN300-187119
1,1'-(1,4-phenylenebis-(methylene))-bis-1,4,8,11-tetraazacyclotetradecane
BDBM50035696
A809618
Amd 3100
AC-26837
JM 2987
Plerixafor
Mozobil
BCP02337
1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Hippeastrum hybrid agglutinin( HHA)
1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)
SCHEMBL19038
110078-46-1
1,1'-(1,4-Phenylenebis(methylene))-bis-1,4,8,11-tetraazacyclotetradecane

MDL Number

MFCD05662218

Customs Code

2933990090

FAQ

What is 1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) (CAS: 110078-46-1)?

1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) is a macrocyclic chelating agent. Its chemical formula is C22H24N4. It is a diamine ligand with two nitrogen-containing macrocycles connected by a phenylene bridge, known for its high coordination ability and stability.

What are the main uses of 1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) (CAS: 110078-46-1)?

This compound is widely used in pharmaceuticals as a chelating agent for metal ions, in analytical chemistry for coordination complexes, and in industrial applications for corrosion inhibition and water treatment.

Is 1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) (CAS: 110078-46-1) safe?

The compound is generally considered safe for industrial use, but it should be handled with care. It is non-toxic, but prolonged exposure to the skin or inhalation of dust may cause irritation. Protective equipment such as gloves and goggles should be worn. Storage in a cool, dry place away from direct sunlight is recommended.

How should 1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) (CAS: 110078-46-1) be stored?

Store the compound in a cool, dry environment away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent moisture absorption. The temperature should not exceed 25°C, and relative humidity should be kept below 60% to ensure stability and prevent degradation.