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Acetamide, N,N'-(2-hydroxy-1,3-propylene)bis(chloro-

HCID 46875
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Basic information

CAS
64049-31-6
Standard SMILES
O=C(CCl)NCC(O)CNC(=O)CCl
InChIKey
OVIWEMMMWRKKNH-UHFFFAOYSA-N
Molecular formula
C7H12Cl2N2O3
Average molar mass
243.08 g/mol
Monoisotopic mass
242.0224976

Names & identifiers

Preferred name
Acetamide, N,N'-(2-hydroxy-1,3-propylene)bis(chloro-
IUPAC
2-chloro-N-[3-[(2-chloroacetyl)amino]-2-hydroxypropyl]acetamide
English name
N,N'-(2-Hydroxytrimethylene)bis(chloroacetamide)
Molecular formula
C7H12Cl2N2O3
Molecular weight
243.09

Names & synonyms

64049-31-6ACETAMIDE, N,N'-(2-HYDROXY-1,3-PROPYLENE)BIS(CHLORO-N,N'-(2-Hydroxy-1,3-propylene)bis(chloroacetamide)DTXSID60214166NSC 58810RefChem:314769DTXCID601366572-chloro-N-[3-[(2-chloroacetyl)amino]-2-hydroxypropyl]acetamideS 37SCHEMBL9147732OVIWEMMMWRKKNH-UHFFFAOYSA-NNSC58810
Show more names
S-37Meth-AN,N'-(2-Hydroxytrimethylene)bis(chloroacetamide)Acetamide, N,N'-(2-hydroxy-1,3-propanediyl)bis[2-chloro-
NSC-588102-hydroxy-N,N'-1,3-propanediyl-bis(2-chloroacetamide)Acetamide,N'-(2-hydroxy-1,3-propanediyl)bis[2-chloro-N,N'-(2-Hydroxypropane-1,3-diyl)bis(2-chloroacetamide)N,N'-(2-Hydroxypropane-1,3-diyl)bis(2-chloroacetamide), AldrichCPR

Database identifiers

CAS
64049-31-6
PubChem CID
46875
DTXSID
DTXSID60214166
Nikkaji
J73.479I

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
78.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
14
Formal charge
0
Complexity
181

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Related reactions

1 records
New reaction record
HRID 128499 reaction equation
HRID 128499As reactantuspto-grants-1995_11

Compound notes

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