CAS
93942-36-0 Purity
96%
93942-36-0 Purity
96%
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Ethyl alpha-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate
CAS
93942-39-3
Catalog Number
ACM93942393
Category
Other Products
Molecular Weight
463.353660 [g/mol]
Molecular Formula
C23H24Cl2N2O4
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Specification
Synonyms
EINECS 300-591-8, 93942-39-3, Ethyl alpha-((4-(bis(2-chloroethyl)amino)phenyl)methyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate
IUPAC Name
ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
Canonical SMILES
CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N2C(=O)C3=CC=CC=C3C2=O
InChI Key
VRICXOXBGFEEOE-UHFFFAOYSA-N
Boiling Point
612ºC at 760mmHg
Flash Point
324ºC
Density
1.34g/cm³
EC Number
300-591-8
Exact Mass
462.11100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of ethyl alpha-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate?
The molecular formula is C23H24Cl2N2O4.
What is the molecular weight of the compound?
The molecular weight is 463.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the InChIKey of the compound?
The InChIKey is VRICXOXBGFEEOE-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.5.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.9 Å^2.
How many rotatable bond counts does the compound have?
The compound has 11 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the CAS number of the compound?
The CAS number is 93942-39-3.
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![Triphenyl[2-(pyrrolidin-2-yl)ethyl]phosphonium bromide](https://resource.alfa-chemistry.com/structure/93942-38-2.gif)
