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N,N'-(butane-1,4-diyl)bis(2-chloroacetamide)

HCID 246169
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
33619-34-0
Standard SMILES
O=C(CCl)NCCCCNC(=O)CCl
InChIKey
DNMKJPPCIKKTNT-UHFFFAOYSA-N
Molecular formula
C8H14Cl2N2O2
Average molar mass
241.11 g/mol
Monoisotopic mass
240.0432331

Names & identifiers

Preferred name
N,N'-(butane-1,4-diyl)bis(2-chloroacetamide)
IUPAC
2-chloro-N-[4-[(2-chloroacetyl)amino]butyl]acetamide

Names & synonyms

N,N'-(butane-1,4-diyl)bis(2-chloroacetamide)RefChem:821656821-394-833619-34-02-chloro-n-[4-(2-chloroacetamido)butyl]acetamide2-CHLORO-N-(4-((CHLOROACETYL)AMINO)BUTYL)ACETAMIDENSC588012-chloro-N-[4-[(2-chloroacetyl)amino]butyl]acetamideSCHEMBL11127833DTXSID90955252IBA61934MFCD00461761
Show more names
NSC-58801AKOS003876592G47077EN300-1702997N,N'-(Butane-1,4-diyl)bis(chloroethanimidic acid)N,N'-(Butane-1,4-diyl)bis(2-chloroethanimidic acid)

Database identifiers

CAS
33619-34-0
PubChem CID
246169
DTXSID
DTXSID90955252
EC Number
821-394-8
Nikkaji
J802.207K

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
14
Formal charge
0
Complexity
168

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Compound notes

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