3-bromo-N,N-diethyl-propanamide 5437-82-1 98%
【Name】
3-bromo-N,N-diethylpropanamide
【Iupac name】
3-bromo-N,N-diethylpropanamide
【CAS Registry number】
5437-82-1
【Synonyms】
3-bromo-n,n-diethylpropanamide
5437-82-1
NSC16243
AC1L5EIY
AC1Q27RX
AR-1F2313
NSC-16243
【Molecular Formula】
C7H14BrNO (Products with the same molecular formula)
【Molecular Weight】
208.0962
【Inchi】
InChI=1/C7H14BrNO/c1-3-9(4-2)7(10)5-6-8/h3-6H2,1-2H3
【Canonical SMILES】
CCN(CC)C(=O)CCBr
【MOL File】
5437-82-1.mol
Chemical and Physical Properties
【Density】
1.287g/cm3
【Boiling Point】
248.3°C at 760 mmHg
【Refractive Index】
1.48
【Flash Point】
104°C
【Computed Properties】
Molecular Weight:208.09616 [g/mol]
Molecular Formula:C7H14BrNO
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:4
Exact Mass:207.025877
MonoIsotopic Mass:207.025877
Topological Polar Surface Area:20.3
Heavy Atom Count:10
Formal Charge:0
Complexity:102
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:38
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