N-(5H-Purin-6-yl)benzamide supplier

Name
N-(5H-Purin-6-yl)benzamide
EINECS 629-048-6
CAS No. 4005-49-6
Article Data11
CAS DataBase
Density 1.491 g/cm³
Solubility Insoluble in water
Melting Point 242-244 °C
Formula C₁₂H₉N₅O
Boiling Point 443.7 °C at 760 mmHg
Molecular Weight 239.236
Flash Point 222.2 °C
Transport Information
Appearance White crystal
Safety 36/37
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Adenine,N-benzoyl- (7CI);Adenine, N6-benzoyl- (6CI);Benzamide, N-1H-purin-6-yl-(9CI);Benzamide, N-purin-6-yl- (8CI);1H-Purine, 6-(benzoylamino)-;6-(Benzoylamino)purine;6-Benzamidopurine;6-Benzoyladenine;6-N-Benzoyladenine;N-Benzoyladenine;N6-Benzoyladenine;NSC 98641;Benzamide,N-9H-purin-6-yl-;
PSA 83.56000
LogP 1.67820

N-(5H-Purin-6-yl)benzamide Chemical Properties

Molecule structure of N-(5H-Purin-6-yl)benzamide (CAS NO.4005-49-6):

IUPAC Name: N-(7H-Purin-6-yl)benzamide
Molecular Weight: 239.23276 g/mol
Molecular Formula: C₁₂H₉N₅O
Density: 1.491 g/cm³
Melting Point: 242-244 °C
Boiling Point: 443.7 °C at 760 mmHg
Flash Point: 222.2 °C
Index of Refraction: 1.781
Molar Refractivity: 67.37 cm³
Molar Volume: 160.4 cm³
Surface Tension: 89 dyne/cm
Enthalpy of Vaporization: 70.14 kJ/mol
Vapour Pressure: 4.53E-08 mmHg at 25 °C
Storage Temp.: 2-8 °C
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 12
Exact Mass: 239.08071
MonoIsotopic Mass: 239.08071
Topological Polar Surface Area: 83.6
Heavy Atom Count: 18
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3
InChI: InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18) InChIKey: QQJXZVKXNSFHRI-UHFFFAOYSA-N
Product Categories: Purine; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides

N-(5H-Purin-6-yl)benzamide Safety Profile

Hazard Codes: Harmful Xn, Xi
Risk Statements: 22-43
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Hazard Note: Irritant
MSDS: Information

N-(5H-Purin-6-yl)benzamide Specification

N-(5H-Purin-6-yl)benzamide (CAS NO.4005-49-6) is also named as Benzamide, N-9H-purin-6-yl- ; N-(3H-Purin-6-yl)benzamide ; N-(9H-Purin-6-yl)benzamide ; N-(9H-Purin-6-yl)benzolcarboxamid ; 6-Benzoylaminopurine ; Adenine, N-benzoyl- ; Benzamide, N-1H-purin-6-yl- ; N6-Benzoyladenine . N-(5H-Purin-6-yl)benzamide (CAS NO.4005-49-6) is white crystal.

Product Name

N-(5H-Purin-6-yl)benzamide

N-(5H-Purin-6-yl)benzamide Chemical Properties

N-(5H-Purin-6-yl)benzamide Safety Profile

N-(5H-Purin-6-yl)benzamide Specification

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