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2482-00-0

Basic Information
CAS No.: 2482-00-0
Name: Agmatine sulfate
Article Data: 3
Molecular Structure:
Molecular Structure of 2482-00-0 (Agmatine sulfate)
Formula: C5H16N4O4S
Molecular Weight: 228.272
Synonyms: 2-(4-aminobutyl)guanidine; sulfuric acid;Prestwick_710;Guanidine, (4-aminobutyl)-, sulfate (1:1);(4-Aminobutyl)guanidinium sulphate;1-Amino-4-guanidinobutane sulfate salt;(4-Aminobutyl)guanidine sulphate;
EINECS: 219-617-3
Melting Point: 234-238 °C(lit.)
Boiling Point: 281.4 °C at 760 mmHg
Flash Point: 124 °C
Solubility: 50 mg/mL in water
Appearance: Powder
Safety: 22-24/25
PSA: 170.90000
LogP: 1.52760
Synthetic route
14527-26-5, 867-44-7

2-methylisothiourea sulphate

110-60-1

1,4-diaminobutane

2482-00-0

agmatine sulphate

110-60-1

1,4-diaminobutane

S-ethyl-isothiourea sulfate

S-ethyl-isothiourea sulfate

2482-00-0

agmatine sulphate

2482-00-0

agmatine sulphate

814-68-6

acryloyl chloride

181147-64-8

N-(4-guanidino-butyl)acrylamide

Conditions
ConditionsYield
Stage #1: agmatine sulphate With potassium carbonate In water at 0 - 5℃; for 0.166667h;
Stage #2: acryloyl chloride In water; acetone at 5℃; for 1h;
Stage #3: With sulfuric acid; potassium carbonate Product distribution / selectivity; more than 3 stages;
95%
Stage #1: agmatine sulphate With sodium hydroxide In water at 0℃; pH=12;
Stage #2: acryloyl chloride With sodium hydroxide In water; acetone at 0 - 20℃; for 2h; pH=11.8;
Stage #3: With sulfuric acid In water; acetone pH=2.5; Product distribution / selectivity;
50%
Stage #1: agmatine sulphate With potassium carbonate In water at 5℃; for 0.166667h; Cooling with ice;
Stage #2: acryloyl chloride In water; acetone at 5℃; for 1h;
With sodium hydrogencarbonate In water at 0℃; for 1.5h;1 g
Stage #1: agmatine sulphate; acryloyl chloride With sodium hydrogencarbonate at 0℃; for 1h;
Stage #2: With hydrogenchloride In water pH=1;
1 g
34071-95-9

N-succinimidyl-3-(p-hydroxyphenyl)propionate

2482-00-0

agmatine sulphate

3-(4-hydroxyphenyl)propionyl agmatine

Conditions
ConditionsYield
With sodium hydrogencarbonate In acetone for 19h; pH=8;91%

2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofurane-1,3(2H,9bH)-dione

2482-00-0

agmatine sulphate

C23H28N4O6

Conditions
ConditionsYield
With triethylamine In ethanol; water at 20℃; for 20h; Inert atmosphere; Reflux;82%
2482-00-0

agmatine sulphate

672341-25-2

4-O-metyl-cis-p-coumaryl succinimide ester

cis-p-methoxycinnamoylagmatine

Conditions
ConditionsYield
With sodium hydrogencarbonate In acetone for 72h; pH=8.0;81%
26272-90-2

cetyl chloroformate

2482-00-0

agmatine sulphate

hexadecyl N-(4-guanidinobutyl)carbamate hydrochloride

Conditions
ConditionsYield
Stage #1: agmatine sulphate With sodium hydroxide In water; isopropyl alcohol at 10 - 20℃; pH=12 - 13;
Stage #2: cetyl chloroformate With hydrogenchloride In ethyl acetate at 20℃; for 0.5h;
72%
24424-99-5

di-tert-butyl dicarbonate

2482-00-0

agmatine sulphate

4-(tert-Butoxycarbonylamino)butylguanidinium hydrogen carbonate

Conditions
ConditionsYield
With sodium hydrogencarbonate In 1,4-dioxane68%
With sodium hydrogencarbonate In 1,4-dioxane at 20℃;68%
2482-00-0

agmatine sulphate

88492-43-7

4-hydroxycinnamic acid N-hydroxysuccinimide ester

1-(trans-4'-hydroxycinnamoylamino)-4-guanidinobutane

Conditions
ConditionsYield
With sodium hydrogencarbonate In water; acetone for 24h; Ambient temperature; pH: 8;65%
2482-00-0

agmatine sulphate

116115-11-8

(S)-2-Benzyloxycarbonylamino-5-tert-butoxycarbonylamino-pentanoic acid 2,5-dioxo-pyrrolidin-1-yl ester

Z-Orn(Boc)-Agm*0.5H2SO4

Conditions
ConditionsYield
With triethylamine In water; acetonitrile51%
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    Other Name: (4-Aminobutyl)guanidinium sulphate; N-(4-Aminobutyl)guanidine sulfate salt Molecular Structure: Molecular Formula: C5H14N4.H2SO4;C5H16N4O4S Molecular Weight: 228.27 CAS No.: 2

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  • Agmatine sulfate CAS:2482-00-0

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Chemistry

The molecular structure of Agmatine sulfate (CAS NO.2482-00-0):

IUPAC Name: 2-(4-Aminobutyl)guanidine; sulfuric acid 
Molecular Weight: 228.26994 g/mol
Molecular Formula: C5H16N4O4
Melting Point: 234-238 °C(lit.)
Flash Point: 124 °C
Enthalpy of Vaporization: 52.02 kJ/mol
Boiling Point: 281.4 °C at 760 mmHg
Vapour Pressure: 0.00357 mmHg at 25 °C 
Storage Temp.: −20 °C
Water Solubility: 50 mg/mL
H-Bond Donor: 5
H-Bond Acceptor: 8
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 228.089226
MonoIsotopic Mass: 228.089226
Topological Polar Surface Area: 165
Heavy Atom Count: 14
Canonical SMILES: C(CCN=C(N)N)CN.OS(=O)(=O)O
InChI: InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKey: PTAYFGHRDOMJGC-UHFFFAOYSA-N
EINECS: 219-617-3
Product Categories: Active Pharmaceutical Ingredients;Imidazoline binding site

Safety Profile

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 10

Specification

 Agmatine sulfate (CAS NO.2482-00-0) is also named as AI3-51851 ; (4-Aminobutyl)guanidinium sulphate ; Guanidine, (4-aminobutyl)-, sulfate (1:1) ; 1-(4-Aminobutyl)guanidine sulfate ; 1-Amino-4-guanidinobutane sulfate salt ; 4-Guanidinobutylamine sulfate salt . Agmatine sulfate (CAS NO.2482-00-0) is white to off-white powder.