9-Butyl-6-mercaptopurine supplier

Name
9-(n-butyl)-6-mercaptopurine
EINECS
CAS No. 6165-01-1
Density 1.35g/cm³
Solubility
Melting Point
Formula C9H12 N4 S
Boiling Point 430.4°C at 760 mmHg
Molecular Weight 208.287
Flash Point 214.1°C
Transport Information
Appearance
Safety Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also MERCAPTANS.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9H-Purine-6-thiol,9-butyl- (6CI,7CI,8CI); 9-(n-Butyl)-6-mercaptopurine; 9-Butyl-6-mercaptopurine;9-Butyl-9H-purine-6-thiol; NSC 19488
PSA 78.59000
LogP 2.28900

9-Butyl-6-mercaptopurine Chemical Properties

The Molecular Structure of 9-Butyl-6-mercaptopurine (CAS NO.6165-01-1):

Molecular Formula: C₉H₁₂N₄S
Molecular Weight: 208.283380 g/mol
IUPAC: 9-butyl-3H-purine-6-thione
Density: 1.35 g/cm³
Flash Point: 214.1 °C
Enthalpy of Vaporization: 68.59 kJ/mol
Boiling Point: 430.4 °C at 760 mmHg
Vapour Pressure: 1.3E-07 mmHg at 25°C
Polar Surface Area: 65.51Å²
Index of Refraction: 1.699
Molar Refractivity: 59.18 cm³
Molar Volume: 153.1 cm³
Surface Tension: 49.8 dyne/cm
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.11
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 5.5): 23.67
ACD/BCF (pH 7.4): 24.18
ACD/KOC (pH 5.5): 333.17
ACD/KOC (pH 7.4): 340.32
9-Butyl-6-mercaptopurine (CAS NO.6165-01-1) is classified as Drug / Therapeutic AgentInChI.
InChI: InChI=1/C9H12N4S/c1-2-3-4-13-6-12-7-8(13)10-5-11-9(7)14/h5-6H,2-4H2,1H3,(H,10,11,14)
Smiles: c12ncn(c1ncnc2S)CCCC

9-Butyl-6-mercaptopurine Toxicity Data With Reference

1.		ipr-rat LDLo:300 mg/kg		CPCHAO Clinical Proceedings of the Children’s Hospital of the District of Columbia. 18 (1962),307.
2.		ipr-mus LD50:270 mg/kg		NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .

9-Butyl-6-mercaptopurine Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also MERCAPTANS.

9-Butyl-6-mercaptopurine Specification

9-Butyl-6-mercaptopurine (CAS NO.6165-01-1) is also called as 9-(n-Butyl)-6-mercaptopurine ; 9-Butyl mercaptopurine ; 9-Butyl-1,9-dihydro-6H-purine-6-thione ; 9-Butyl-6-MP ; 9-Butyl-6MP ; 9-Butyl-9H-purine-6-thiol ; AI3-50239 ; BuMP ; NSC 19488 ; SRI 753 ; 6H-Purine-6-thione, 9-butyl-1,9-dihydro- (9CI) ; 9H-Purine-6-thiol, 9-butyl- .

Product Name

9-(n-butyl)-6-mercaptopurine

9-Butyl-6-mercaptopurine Chemical Properties

9-Butyl-6-mercaptopurine Toxicity Data With Reference

9-Butyl-6-mercaptopurine Safety Profile

9-Butyl-6-mercaptopurine Specification

Related Products

Hot Products