N-hexyl-2-iodo-acetamide 5345-63-1 C8H16INO
Identification and Related Records
【Name】
N-hexyl-2-iodoacetamide
【CAS Registry number】
5345-63-1
【Synonyms】
N-HEXYL-2-IODOACETAMIDE
NSC1715
AC1Q4PPV
AC1L57RF
NSC-1715
AR-1K7099
【Molecular Formula】
C8H16INO (Products with the same molecular formula)
【Molecular Weight】
269.1232
【Inchi】
InChI=1/C8H16INO/c1-2-3-4-5-6-10-8(11)7-9/h2-7H2,1H3,(H,10,11)
【Canonical SMILES】
CCCCCCNC(=O)CI
【MOL File】
5345-63-1.mol
Chemical and Physical Properties
【Density】
1.451g/cm3
【Boiling Point】
333.4°C at 760 mmHg
【Refractive Index】
1.512
【Flash Point】
155.4°C
【Computed Properties】
Molecular Weight:269.12321 [g/mol]
Molecular Formula:C8H16INO
XLogP3-AA:2.6
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:269.027657
MonoIsotopic Mass:269.027657
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Formal Charge:0
Complexity:106
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 Donor Count:1
Feature 3D Hydrophobe Count:3
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:106
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