5'-(N-CYCLOPROPYL)CARBOXAMIDOADENOSINE

The Molecular Structure of Adenosine-5'-(N-cyclopropyl)carboxamide (CAS NO.50908-62-8):
Molecular Formula: C₁₃H₁₆N₆O₄
Molecular Weight: 320.303940 g/mol
Classification: Drug / Therapeutic Agent 
IUPAC: 5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
Density: 2.09 g/cm³ 
Nominal Mass: 320 Da
Average Mass: 320.3039 Da
Monoisotopic Mass: 320.123303 Da 
ACD/LogP: -0.65 
ACD/LogD (pH 5.5): -0.65
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 10.47
ACD/KOC (pH 7.4): 10.62 
Polar Surface Area: 94.84Ų
Index of Refraction: 1.961
Molar Refractivity: 74.29 cm³
Molar Volume: 152.6 cm³
Surface Tension: 109.4 dyne/cm 
InChI: InChI=1/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13-/m0/s1
Smiles: c12[n@@]([C@@H]3[C@@H]([C@H](O)[C@H](O3)C(NC3CC3)=O)O)cnc1c(N)ncn2

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: T+
Risk Statements: 26/27/28 
R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 22-36/37/39-45
R22: Harmful if swallowed
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2811 6.1/PG 1
WGK: Germany 3
RTECS: VJ2223500
HazardClass: 6.1(a)
PackingGroup: I

 Adenosine-5'-(N-cyclopropyl)carboxamide (CAS NO.50908-62-8) is also called as N-Cyclopropyl adenosine-5'-carboxamide ; 1-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxyribofuranuronamide ; 1-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxy-beta-D-ribofuranuronamide ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxy- ; beta-D-Ribofuranuranamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxy- .