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2-bromo-N,N-dibutan-2-yl-propanamide 5396-44-1 98%
【Name】
2-bromo-N,N-di(butan-2-yl)propanamide
【Iupac name】
2-bromo-N,N-di(butan-2-yl)propanamide
【CAS Registry number】
5396-44-1
【Synonyms】
2-bromo-n,n-di(butan-2-yl)propanamide
5396-44-1
NSC1722
AC1L57RR
AC1Q242N
NSC-1722
AR-1D9666
2-BROMO-N,N-DI-SEC-BUTYLPROPIONAMIDE
【Molecular Formula】
C11H22BrNO (Products with the same molecular formula)
【Molecular Weight】
264.2025
【Inchi】
InChI=1/C11H22BrNO/c1-6-8(3)13(9(4)7-2)11(14)10(5)12/h8-10H,6-7H2,1-5H3
【Canonical SMILES】
CCC(C)N(C(C)CC)C(=O)C(C)Br
【MOL File】
5396-44-1.mol
Chemical and Physical Properties
【Density】
1.154g/cm3
【Boiling Point】
292.9°C at 760 mmHg
【Refractive Index】
1.474
【Flash Point】
130.9°C
【Computed Properties】
Molecular Weight:264.20248 [g/mol]
Molecular Formula:C11H22BrNO
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:5
Exact Mass:263.088477
MonoIsotopic Mass:263.088477
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Formal Charge:0
Complexity:174
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:4
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:312
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