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| CAS No.: | 72-40-2 |
|---|---|
| Name: | 4-Amino-5-imidazolecarboxamide hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7ClN4O |
| Molecular Weight: | 162.579 |
| 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; |
| EINECS: | 200-778-3 |
| Melting Point: | 250-252 °C (dec.)(lit.) |
| Boiling Point: | 522.1 °C at 760 mmHg |
| Flash Point: | 269.6 °C |
| Solubility: | soluble in water |
| Appearance: | very slightly beige fine powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 97.79000 |
| LogP: | 1.17430 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With triethylamine In dimethyl sulfoxide at 25℃; | 95% |
| With triethylamine In dimethyl sulfoxide at 20℃; | 88% |
| Conditions | Yield |
|---|---|
| With sodium acetate In ethanol; water for 1h; Heating; | 94% |
| Conditions | Yield |
|---|---|
| With sodium acetate In ethanol; water for 1h; Heating; | 93% |
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile for 60h; Ambient temperature; | 92% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
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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%.
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