Ethyl 5-amino-3H-imidazole-4-carboxylate supplier

Name
ETHYL 4-AMINO-5-IMIDAZOLECARBOXYLATE
EINECS 200-258-5
CAS No. 21190-16-9
Article Data18
CAS DataBase
Density 1.318 g/cm³
Solubility
Melting Point 180-181 °C
Formula C₆H₉N₃O₂
Boiling Point 391.2 °C at 760 mmHg
Molecular Weight 155.156
Flash Point 190.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-amino-5-imidazolecarboxylate;
PSA 81.00000
LogP 0.74980

Ethyl 5-amino-3H-imidazole-4-carboxylate Specification

The Ethyl 5-amino-3H-imidazole-4-carboxylate, with the CAS registry number 21190-16-9, is also known as Ethyl 4-amino-5-imidazolecarboxylate. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₆H₉N₃O₂ and molecular weight is 155.15. What's more, its IUPAC name is Ethyl 4-amino-1H-imidazole-5-carboxylate.

Physical properties about Ethyl 5-amino-3H-imidazole-4-carboxylate are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.57; (8)ACD/KOC (pH 7.4): 33.14; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 39.41 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 15.62×10^-24 cm³; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 190.4 °C; (20)Enthalpy of Vaporization: 64.08 kJ/mol; (21)Boiling Point: 391.2 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(ncn1)N
(2) InChI: InChI=1/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
(3) InChIKey: NJMORFFDAXJHHM-UHFFFAOYAZ

Product Name

ETHYL 4-AMINO-5-IMIDAZOLECARBOXYLATE

Ethyl 5-amino-3H-imidazole-4-carboxylate Specification

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