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Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide

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Name

Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide

EINECS N/A
CAS No. 35788-31-9 Density 1.7g/cm3
PSA 151.65000 LogP -1.32240
Solubility N/A Melting Point 165 - 167 °C (ethanol)
Formula C14H21N7O4 Boiling Point 485.17°C (rough estimate)
Molecular Weight 351.42 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 35788-31-9 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-[2-(dimethylamino)ethyl]-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)) Hazard Symbols N/A
Synonyms

Adenosin-5'-carbonsaeure-N-(2-dimethylaminoethyl)-amid;(2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-dimethylamino-ethyl)-amide;

Article Data 3

Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Chemical Properties

The Molecular Structure of Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide (CAS NO.35788-31-9):
Molecular Formula:  C14H21N7O4
Molecular Weight: 351.361040 g/mol
Classification: Drug / Therapeutic Agent 
Density: 1.7 g/cm
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2-dimethylaminoethyl)-3,4-dihydroxyoxolane-2-carboxamide
ACD/LogP: -0.86
Nominal Mass: 351 Da
Average Mass: 351.361 Da
Monoisotopic Mass: 351.165502 Da
Polar Surface Area: 98.08Å2
Index of Refraction: 1.762
Molar Refractivity: 85.03 cm3
Molar Volume: 206.2 cm3
Surface Tension: 74.6 dyne/cm
Smiles: O=C([C@H]1O[C@@H](n2c3c(nc2)c(ncn3)N)[C@@H](O)[C@@H]1O)NCCN(C)C

Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Toxicity Data With Reference

1.    

orl-mus LD50:500 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 23 (1980),313.
2.    

ipr-mus LD50:20 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 23 (1980),313.

Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Specification

 Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide (CAS NO.35788-31-9) is also called as 1-(6-Amino-9H-purin-9-yl)-N-(2-(dimethylamino)ethyl)-1-deoxyribofuranuronamide ; BRN 0632124 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-(2-
(dimethylamino)ethyl)-1-deoxy- .

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