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4-Amino-5-imidazolecarboxamide hydrochloride
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Name

4-Amino-5-imidazolecarboxamide hydrochloride

 EINECS 200-778-3
CAS No. 72-40-2 Density N/A
PSA 97.79000 LogP 1.17430
Solubility soluble in water Melting Point 250-252 °C (dec.)(lit.)
Formula C4H7ClN4O Boiling Point 522.1 °C at 760 mmHg
Molecular Weight 162.579 Flash Point 269.6 °C
Transport Information N/A Appearance very slightly beige fine powder
Safety 22-24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 72-40-2 (4-Amino-5-imidazolecarboxamide hydrochloride) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1H-Imidazole-4-carboxamide,5-amino-, monohydrochloride (9CI);Imidazole-4-carboxamide, 5-amino-,monohydrochloride (8CI);4-Aminoimidazole-5-carboxamide hydrochloride;5-Amino-1H-imidazole-4-carboxamide hydrochloride;5-Aminoimidazole-4-carboxamide hydrochloride;

Article Data 4

4-Amino-5-imidazolecarboxamide hydrochloride Synthetic route

360-97-4

5-Aminoimidazole-4-carboxamide

72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; water at 68℃; for 0.5h; Inert atmosphere;84%
360-97-4

5-Aminoimidazole-4-carboxamide

A

72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

B

7008-85-7

5-diazoimidazole-4-carboxamide

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water
955042-99-6

3-ethoxy-4-(2-ethoxyethoxy)pyridine-2-carbaldehyde

72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

955043-00-2

4-({[3-ethoxy-4-(2-ethoxyethoxy)pyridin-2-yl]methyl}amino)-1H-imidazole-5-carboxamide

Conditions
ConditionsYield
With sodium cyanoborohydride In methanol at 20℃; for 48h;100%
13347-35-8

ethyl N-benzyloxycarbonylamino-orthoacetate

72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

5-<(N-benzyloxycarbonylaminomethyl)(ethoxy)methylimino>imidazole-4-carboxamide

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 80℃; for 1h;95%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

3173-56-6

benzyl isothiocyanate

188612-59-1

5-Amino-1-(N-benzylcarbamoyl)imidazole-4-carboxamide

Conditions
ConditionsYield
With triethylamine In dimethyl sulfoxide at 25℃;95%
With triethylamine In dimethyl sulfoxide at 20℃;88%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

6361-21-3

2-chloro-5-nitrobenzaldehyde

5-[N-(2-chloro-5-nitrobenzylidene)amino]imidazole-4-carboxamide

Conditions
ConditionsYield
With sodium acetate In ethanol; water for 1h; Heating;94%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

89-98-5

2-chloro-benzaldehyde

5-[N-(2-chlorobenzylidene)amino]imidazole-4-carboxamide

Conditions
ConditionsYield
With sodium acetate In ethanol; water for 1h; Heating;93%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

3634-83-1

m-xylylene diisocyanate

1,3-bis(5-amino-4-carbamoylimidazolecarboxamidomethyl)benzene

Conditions
ConditionsYield
With triethylamine In acetonitrile for 60h; Ambient temperature;92%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

552-89-6

2-nitro-benzaldehyde

5-[N-(2-nitrobenzylidene)amino]imidazole-4-carboxamide

Conditions
ConditionsYield
With sodium acetate In ethanol; water for 1h; Heating;91%
72-40-2

5-amino-1H-imidazole-4-carboxamide monohydrochloride

624-83-9

methyl isocyanate

188612-53-5

5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide

Conditions
ConditionsYield
With triethylamine In dimethyl sulfoxide at 20℃;90%
With triethylamine In dimethyl sulfoxide at 25℃;85%
With triethylamine 1.) CH3CN, 25 deg C, 10 min, 2.) 25 deg C, 18 h; Yield given. Multistep reaction;

4-Amino-5-imidazolecarboxamide hydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

4-Amino-5-imidazolecarboxamide hydrochloride Specification

The 4-Amino-5-imidazolecarboxamide hydrochloride, with the CAS registry number 72-40-2, is also known as Imidazole-4-carboxamide, 5-amino-, monohydrochloride (8CI). It belongs to the product categories of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Pharmacetical; Imidazoles; (intermediate of dacarbazine). Its EINECS registry number is 200-778-3. This chemical's molecular formula is C4H7ClN4O and molecular weight is 162.57758. Its IUPAC name is called 4-amino-1H-imidazole-5-carboxamide hydrochloride. This chemical's classification code is Mutation data. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 4-Amino-5-imidazolecarboxamide hydrochloride: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.06; (8)ACD/KOC (pH 7.4): 5.99; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 269.6 °C; (13)Enthalpy of Vaporization: 79.55 kJ/mol; (14)Boiling Point: 522.1 °C at 760 mmHg; (15)Vapour Pressure: 5.33E-11 mmHg at 25°C.

Uses of 4-Amino-5-imidazolecarboxamide hydrochloride: it can be used to produce 1,9-dihydro-2-(trifluoromethyl)-6H-purin-6-one with 2,2,2-trifluoro-acetamide by heating. The yield is about 48%.

4-Amino-5-imidazolecarboxamide hydrochloride can be used to produce 1,9-dihydro-2-(trifluoromethyl)-6H-purin-6-one with 2,2,2-trifluoro-acetamide by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=C(N1)C(=O)N)N.Cl
(2)InChI: InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
(3)InChIKey: MXCUYSMIELHIQL-UHFFFAOYSA-N

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