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N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid

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Name

N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid

EINECS N/A
CAS No. 18921-70-5 Density 1.3696 (rough estimate)
PSA 193.55000 LogP 2.99870
Solubility N/A Melting Point 270°C (rough estimate)
Formula C21H22 N6 O5 Boiling Point 550.3°C (rough estimate)
Molecular Weight 438.443 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 18921-70-5 (Methasquin) Hazard Symbols N/A
Synonyms

Asparticacid, N-[p-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, L-(8CI); NSC 122870; SK 29836

 

N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid Chemical Properties

IUPAC Name: 2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid 
Synonyms of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): BRN 0905365 ; Methasquin ; N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid ; NSC 122870 ; SK 29836 ; Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, L- (8CI) ; Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L- ; L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, (9CI) ; L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)- (9CI)
CAS NO: 18921-70-5 
Molecular Formula of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): C21H22N6O5
Molecular Weight: 438.4366 
H bond acceptors: 11
H bond donors: 8
Freely Rotating Bonds: 8
Polar Surface Area: 108.41 ?2
Index of Refraction: 1.749
Molar Refractivity: 118.28 cm3
Molar Volume: 290.4 cm3
Surface Tension: 89.3 dyne/cm
Density of N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid (CAS NO.18921-70-5): 1.509 g/cm3
Molecular Structure:

N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50110ug/kg (50.11mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 158mg/kg (158mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

N-(4-(((2,4-Diamino-5-methyl-6-quinazo-linyl)methyl)amino)benzoyl)-L-aspartic acid Safety Profile

Poison by subcutaneous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

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