1,4-Diaminobutane dihydrochloride

Product Information

Molecular Formula
C4H12N2.2HCl
Molecular Weight
161.07
Description
It is an NMDA receptor agonist produced by the breakdown of amino acids after the death of an organism. It is a polyamine plant growth regulator affecting the synthesis of macromolecules and the development of root systems in plants.
Synonyms
1,4-Butanediamine Dihydrochloride; Putrescine Dihydrochloride; Putrescine Hydrochloride; Tetramethylenediamine Dihydrochloride
IUPAC Name
butane-1,4-diamine;dihydrochloride
Canonical SMILES
C(CCN)CN.Cl.Cl
InChI
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
InChI Key
XXWCODXIQWIHQN-UHFFFAOYSA-N
Boiling Point
159 °C at 760 mmHg
Melting Point
>280 °C (dec.)
Purity
≥ 98 %
Density
1.472 g/cm3
Solubility
Slightly soluble in Water
Appearance
White to off-white solid
Application
Used in biochemical research.
Storage
Store at 2-8 °C under inert atmosphere
Refractive Index
1.6300 (estimate)
LogP
2.68860
Related CAS
110-60-1 (free base)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
160.0534038 g/mol
Monoisotopic Mass
160.0534038 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
17.5
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes

Patents

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CN-113897187-A Polymer clean drilling fluid system 2021-11-27
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CN-113647416-A Preparation method of multi-connection nutrient polymerization gel, product and application of multi-connection nutrient polymerization gel in crops 2021-08-05
CN-113388576-A Rat vascular smooth muscle cell culture medium and application thereof 2021-07-12
CN-113337459-A Method for improving differentiation efficiency of pluripotent stem cells 2021-06-02
CN-113215095-A Compositions, media supplements, and stem cell media and methods of culture 2021-05-26
CN-113061584-A Culture medium additive capable of promoting growth of adenovirus 2021-05-14
CN-113068615-A In-vitro regeneration method of litchi, product and application thereof 2021-05-12

Literatures

PMID Publication Date Title Journal
23571415 2013-06-01 Structure-based identification of OATP1B1/3 inhibitors Molecular pharmacology
20925391 2010-11-11 Targeting the polyamine transport system with benzazepine- and azepine-polyamine conjugates Journal of medicinal chemistry
4650 1976-02-01 A differential scanning calorimetric study of conversion of ovalbumin to S-ovalbumin in eggs Journal of the science of food and agriculture
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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