-
Name
alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide
- EINECS 403-990-6
- CAS No. 70950-45-7
- Density 1.25 g/cm3
- Solubility
- Melting Point 82-87 ºC
- Formula C41H50ClN3O8
- Boiling Point
- Molecular Weight 748.32
- Flash Point
- Transport Information
- Appearance
- Safety 61
- Risk Codes 53
-
Molecular Structure
- Hazard Symbols R53:;
- 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;
- PSA 131.55000
- LogP 8.39210
alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide Chemical Properties
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
alpha-(4-Methoxybenzoyl)-alpha-(1-benzyl-5-ethoxyhydantion)-2-chloro-5-dodecyloxycarbonyl acetanilide 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.
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