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[Tert-butyl(diphenyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

HCID 333735
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Basic information

CAS
82475-68-1
Standard SMILES
CC(C)(C)[Si](OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)(c1ccccc1)c1ccccc1
InChIKey
YZYJEJAVQWUPQZ-UHFFFAOYSA-N
Molecular formula
C30H37Cl2NO2Si
Average molar mass
542.6 g/mol
Monoisotopic mass
541.1970613

Names & identifiers

Preferred name
[Tert-butyl(diphenyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC
[tert-butyl(diphenyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Names & synonyms

82475-68-1NSC337606[tert-butyl(diphenyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoateDTXSID40318853NSC-337606Benzenebutanoic acid, (1,1-dimethylethyl)diphenylsilyl estertert-Butyldi(phenyl)silyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate

Database identifiers

CAS
82475-68-1
PubChem CID
333735
DTXSID
DTXSID40318853

Properties

Computed structural properties

Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
36
Formal charge
0
Complexity
611

Related reactions

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Compound notes

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