N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride

Basic Information

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CAS Number

32289-58-0

Molecular Formula

C8H20ClN5

Molecular Weight

221.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

SMILES

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CC(=NCCCCCCNC(=NC)N)N

InChI

InChI=1S/C8H19N5.ClH/c1-2-3-4-5-6-12-8(11)13-7(9)10;/h2-6H2,1H3,(H6,9,10,11,12,13);1H

InChIKey

IVUDUFNBXCHCOP-UHFFFAOYSA-N

LogP

0.9959399999999996

Topological Polar Surface Area

97.78 Å²

Hydrogen Bond Donor/Acceptor

6 / 5

Complexity

210

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

SCHEMBL24018755
N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide
Polyhexamethylene Biguanidine HCl
AKOS015919499
32289-58-0
N-(6-(3-Methylguanidino)hexyl)acetimidamide
BCP13780
1824322-57-7
Polihexanide
Poly (hexamethylene biguanide) hydrochloride
Poly(hexamethylenebiguanide) HCl
POLY(IMINOCARBONIMIDOYLIMINOCARBONIMIDOYLIMINO-1,6-HEXANEDIYL) HYDROCHLORIDE
Polyhexanide Discont
Polyhexanide Discontinued
hexan-1-ide
PHMB
Polyhexamethylene Biguanide HCl
Polyhexamethylene biguanide Hydrochloride
Poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl)hydrochloride
Poly(hexamethylenebiguanide) hydrochloride

MDL Number

MFCD00217750

FAQ

What is N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0)?

N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) is a quaternary ammonium compound with a complex structure containing two carbamimidoyl groups linked to a hexanamine chain. It is a white crystalline solid with high water solubility and is commonly used in organic synthesis. Its molecular formula is C14H28N4O2Cl, and it exhibits moderate stability under standard conditions.

What are the main uses of N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0)?

N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) is primarily used as a pharmaceutical intermediate in the synthesis of drug molecules, particularly those targeting neurological disorders. It also serves as a reagent in industrial chemical manufacturing and research applications involving polymeric materials and functional group modifications.

Is N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) safe?

N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) requires careful handling due to potential irritant properties. It is not classified as highly toxic but should be used with appropriate personal protective equipment (PPE) and in a well-ventilated area. Safety standards emphasize adherence to OSHA guidelines and proper disposal to ensure minimal environmental impact.

How should N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) be stored?

N-(N'-Carbamimidoylcarbamimidoyl)-1-hexanaminium chloride (CAS: 32289-58-0) should be stored in a cool, dry place at temperatures below 25°C, away from light. It requires a tightly sealed container to prevent moisture exposure and maintain stability. Avoid exposure to heat and incompatible substances to ensure long-term preservation.