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70950-45-7

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Basic Information
CAS No.: 70950-45-7
Name: alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide
Molecular Structure:
Molecular Structure of 70950-45-7 (alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide)
Formula: C41H50ClN3O8
Molecular Weight: 748.32
Synonyms: Benzoic acid,4-chloro-3-[[2-[4-ethoxy-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-,dodecyl ester;
EINECS: 403-990-6
Density: 1.25 g/cm3
Melting Point: 82-87 ºC
Hazard Symbols: R53:;
Risk Codes: 53
Safety: 61
PSA: 131.55000
LogP: 8.39210
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  • alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide

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    70950-45-7

    alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide

    Min.Order: 1 Kilogram

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Chemistry

 IUPAC Name: Dodecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate
Synonyms of : Benzoic acid, 4-chloro-3-((2-(4-ethoxy-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl)-3-(4-methoxyphenyl)-1,3-dioxopropyl)amino)-, dodecyl ester
CAS NO: 70950-45-7
Molecular Formula: C41H50ClN3O8
Molecular Weight: 748.32
Molecular Structure:
H bond acceptors: 11
H bond donors: 1
Freely Rotating Bonds: 23
Polar Surface Area: 122.76 Å2
Index of Refraction: 1.596
Molar Refractivity: 202.63 cm3
Molar Volume: 595 cm3
Surface Tension: 57.8 dyne/cm
Density: 1.25 g/cm3 
Melting point: 82-87 ºC 
SMILES: O=C1N(C(OCC)C(=O)N1C(C(=O)Nc2cc(C(=O)OCCCCCCCCCCCC)ccc2Cl)C(=O)c3ccc(OC)cc3)Cc4ccccc4
InChI: InChI=1/C41H50ClN3O8/c1-4-6-7-8-9-10-11-12-13-17-26-53-40(49)31-22-25-33(42)34(27-31)43-37(47)35(36(46)30-20-23-32(51-3)24-21-30)45-38(48)39(52-5-2)44(41(45)50)28-29-18-15-14-16-19-29/h14-16,18-25,27,35,39H,4-13,17,26,28H2,1-3H3,(H,43,47)
InChIKey: XLCGXWPXVZVBTA-UHFFFAOYAN
Std. InChI: InChI=1S/C41H50ClN3O8/c1-4-6-7-8-9-10-11-12-13-17-26-53-40(49)31-22-25-33(42)34(27-31)43-37(47)35(36(46)30-20-23-32(51-3)24-21-30)45-38(48)39(52-5-2)44(41(45)50)28-29-18-15-14-16-19-29/h14-16,18-25,27,35,39H,4-13,17,26,28H2,1-3H3,(H,43,47)
Std. InChIKey: XLCGXWPXVZVBTA-UHFFFAOYSA-N

Safety Profile

Risk Statements: 53 
R53: May cause long-term adverse effects in the aquatic environment.
Safety Statements: 61 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.