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66964-37-2

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Basic Information
CAS No.: 66964-37-2
Name: 2-Amino-4-[(12-methylbenz[a]anthracen-7-ylmethyl)thio]butyric acid
Molecular Structure:
Molecular Structure of 66964-37-2 (2-Amino-4-[(12-methylbenz[a]anthracen-7-ylmethyl)thio]butyric acid)
Formula: C24H23NO2S
Molecular Weight: 389.54
Density: 1.285g/cm3
Boiling Point: 659.2°Cat760mmHg
Flash Point: 352.4°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 88.62000
LogP: 6.19010
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Chemistry

IUPAC Name:  2-Amino-4-[(12-methylbenzo[b]phenanthren-7-yl)methylsulfanyl]butanoic acid 
Synonyms of S-(12-Methyl-7-benz(a)anthrylmethyl)homocysteine (CAS NO.66964-37-2): Butyric acid, 2-amino-4-(12-methyl-7-benz(a)anthrylmethyl)thio
InChI: InChI=1/C24H23NO2S/c1-15-17-7-4-5-9-19(17)21(14-28-13-12-22(25)24(26)27)20-11-10-16-6-2-3-8-18(16)23(15)20/h2-11,22H,12-14,25H2,1H3,(H,26,27)              
CAS NO: 66964-37-2                                    
Molecular Formula: C24H23NO2S
Molecular Weight : 389.5099  
Molecular Structure:
H bond acceptors:  3 
H bond donors:  3 
Freely Rotating Bonds:  7 
Polar Surface Area:  54.84 Å2 
Index of Refraction:  1.731 
Molar Refractivity:  121.1 cm3 
Molar Volume:  303 cm3  
Surface Tension:  62.2 dyne/cm 
Density:  1.285 g/cm3 
Flash Point:  352.4 °C 
Enthalpy of Vaporization:  101.93 kJ/mol 
Boiling Point:  659.2 °C at 760 mmHg 
Vapour Pressure:  2.84E-18 mmHg at 25°C 

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When S-(12-Methyl-7-benz(a)anthrylmethyl)homocysteine (CAS NO.66964-37-2) is heated to decomposition, it emits very toxic fumes of NOx and SOx.