CAS 64236-33-5

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Also known as: 64236-33-5, 5-amino-1h-imidazole-4-carboxamide monohydrate, 1h-imidazole-4-carboxamide, 5-amino-, monohydrate, 4-amino-1h-imidazole-5-carboxamide;hydrate, 5-amino-1h-imidazole-4-carboxamidehydrate, Cs-m3651

Molecular Formula

C₄H₈N₄O₂

Molecular Weight

144.13 g/mol

InChI Key

XAOSYMLDDLWPLV-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1H-imidazole-5-carboxamide;hydrate

2.1.2 InChI

InChI=1S/C4H6N4O.H2O/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H2

2.1.3 InChI Key

XAOSYMLDDLWPLV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC(=C(N1)C(=O)N)N.O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 64236-33-5

2. 5-amino-1h-imidazole-4-carboxamide Monohydrate

3. 1h-imidazole-4-carboxamide, 5-amino-, Monohydrate

4. 4-amino-1h-imidazole-5-carboxamide;hydrate

5. 5-amino-1h-imidazole-4-carboxamidehydrate

6. Cs-m3651

7. Cs-15118

8. Imidazole-4-carboxamide, 5-amino- Hydrate

9. A852222

10. 4-aminoimidazole-5-carboxamide;5-aminoimidazole-4-carboxamide

2.3 Create Date

2016-05-17

3 Chemical and Physical Properties

Molecular Formula	C₄H₈N₄O₂
Molecular Weight	144.13 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	98.8
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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	2

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CAS 64236-33-5

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