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2498-50-2

Basic Information
CAS No.: 2498-50-2
Name: 4-Aminobenzamidine dihydrochloride
Article Data: 9
Molecular Structure:
Molecular Structure of 2498-50-2 (4-Aminobenzamidine dihydrochloride)
Formula: C7H11Cl2N3
Molecular Weight: 208.09
Synonyms: Benzamidine,p-amino-, dihydrochloride (6CI,7CI,8CI);Benzenecarboximidamide, 4-amino-,dihydrochloride (9CI);4-Amidinoaniline dihydrochloride;p-Aminobenzamidine dihydrochloride;
EINECS: 219-692-2
Density: 1.26g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 289.8 °C at 760 mmHg
Flash Point: 129 °C
Appearance: white to yellowish fine crystalline powder
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-37/39-36
PSA: 75.89000
LogP: 3.53810
Synthetic route
35704-19-9

N-(4-cyanophenyl)acetamide

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Stage #1: N-(4-cyanophenyl)acetamide With sodium amide In dimethyl sulfoxide at 20 - 80℃; for 1.5h; Large scale;
Stage #2: With hydrogenchloride In ethanol; dimethyl sulfoxide at 0℃; for 1.5h; pH=3 - 4; Solvent; Reagent/catalyst; Temperature; Large scale;
97.8%
25412-75-3

4-nitrobenzamidine

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Stage #1: 4-nitrobenzamidine With iron; acetic acid In ethanol; water at 60 - 80℃; for 4h;
Stage #2: With hydrogenchloride In ethanol; water Reagent/catalyst;
94.7%
873-74-5

4-Aminobenzonitrile

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrogenchloride / 16 h / -10 - 40 °C / Inert atmosphere
2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere
2.2: 0.5 h / 60 - 70 °C
View Scheme
Multi-step reaction with 2 steps
1.1: hydrogenchloride / -10 - 40 °C / Inert atmosphere
2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere
2.2: 0.5 h / 60 - 70 °C
View Scheme

C8H10N2O*2ClH

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature;
18.3 g
Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration;
18.3 g

ethyl 4-aminobenzimidate dihydrochloride

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature;
22.6 g
Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h;
22.6 g
619-72-7

4-nitrobenzonitrile

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 20 h / 20 °C / Inert atmosphere
2: ammonium carbonate / ethanol / 20 h / 20 °C / Inert atmosphere
3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / 24 h / 20 °C / Inert atmosphere
2: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere
3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C
View Scheme
52708-02-8

4-nitrobenzimidic acid methyl ester

2498-50-2

4-aminobenzamidine dihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere
2: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C
View Scheme
67-56-1

methanol

38622-91-2, 36635-61-7

[(p-methylphenyl)sulfonylmethyl]isonitrile

284044-35-5

4-isopropoxy-5-ethoxy-benzaldehyde

2498-50-2

4-aminobenzamidine dihydrochloride

883574-18-3

(4-Carbamimidoylphenylamino)-(3-ethoxy-4-isopropoxyphenyl)acetic acid methyl ester

Conditions
ConditionsYield
Stage #1: 4-isopropoxy-5-ethoxy-benzaldehyde; 4-aminobenzamidine dihydrochloride In methanol at 60℃; for 0.5h;
Stage #2: methanol; [(p-methylphenyl)sulfonylmethyl]isonitrile; boron trifluoride diethyl etherate at 0 - 20℃;
Stage #3: With ammonia; water In ethyl acetate
100%
6092-54-2

n-hexyl chloroformate

2498-50-2

4-aminobenzamidine dihydrochloride

1307233-93-7

4-aminobenzamidine-N-hexylcarbamate hydrochloride

Conditions
ConditionsYield
Stage #1: n-hexyl chloroformate; 4-aminobenzamidine dihydrochloride With sodium hydroxide In acetone at 5 - 20℃; for 0.25h;
Stage #2: With hydrogenchloride In water
97.2%
75-75-2

methanesulfonic acid

2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid

2498-50-2

4-aminobenzamidine dihydrochloride

methyl 3-[2-(4-carbamimidoylphenylcarbamoyl)-5-methoxy-4-vinylphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate methanesulfonate

Conditions
ConditionsYield
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 0 - 20℃; for 31h;
Stage #2: methanesulfonic acid In methanol; isopropyl alcohol at 0 - 20℃; for 1h;
94%
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 20℃; for 13h; Large scale;
Stage #2: methanesulfonic acid In methanol Large scale;
93%
Raw Materials
873-74-5
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Chemistry

Molecular Structure of 4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2):

IUPAC Name: 4-aminobenzenecarboximidamide dihydrochloride
CAS: 2498-50-2
Molecular Formula: C7H11Cl2N3
Molecular Weight: 208.09
EINECS: 219-692-2
Storage temp: 2-8°C
Sensitive: Hygroscopic
BRN: 3692927
Index of Refraction: 1.629
Molar Refractivity: 37.99 cm3
Molar Volume: 106.8 cm3
Polarizability: 15.06 10-24cm3
Surface Tension: 55.2 dyne/cm
Density: 1.26 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 52.91 kJ/mol
Boiling Point: 289.8 °C at 760 mmHg
Vapour Pressure: 0.00216 mmHg at 25°C
Melring point: >300 °C(lit.)
Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Amines; Miscellaneous; Broad Spectrum Inhibitors of Proteolytic Enzyme Classes; Other Fluorescent LabelsEnzyme Inhibitors; Protease InhibitorsFluorescent Stains; Protein Stains; Protein Stains For SpectroscopyProtease Inhibitors; Serine Protease Inhibitors; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains; Protease Inhibitors; Imines/AmidinesFluorescent Probes, Labels, Particles and Stains; Nitrogen Compounds; Organic Building Blocks; Other Fluorescent Labels

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-22 (36/37/38:  Irritating to eyes, respiratory system and skin 22:  Harmful if swallowed)
Safety Statements: 26-37/39-36 (26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 37/39: Wear suitable gloves and eye/face protection 36:  Wear suitable protective clothing)
WGK Germany: 3
F: 3-10-21

Specification

 4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2) is also named as p-amino-benzamidindihydrochloride ; 4-amino-benzenecarboximidamiddihydrochloride ; 4-aminobenzenecarboximidamidedihydrochloride ; Benzamidine, p-amino-, dihydrochloride ; 4-aminobenzenecarboximidamide dihydrochloride .It is a white needle, commonly used as pharmaceutical intermediate.