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95331-76-3 | Acetamide, 2-bromo-N-(2-methylpropyl)-
CAS No: 95331-76-3 Catalog No: AG0065KO MDL No:MFCD10686559
Product Description
Catalog Number:
AG0065KO
Chemical Name:
Acetamide, 2-bromo-N-(2-methylpropyl)-
CAS Number:
95331-76-3
Molecular Formula:
C6H12BrNO
Molecular Weight:
194.0696
MDL Number:
MFCD10686559
IUPAC Name:
2-bromo-N-(2-methylpropyl)acetamide
InChI:
InChI=1S/C6H12BrNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key:
CYAVQYCNDWTSGQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)NCC(C)C
NSC Number:
58947
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.01g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.072g/mol
Monoisotopic Mass:
193.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. | Nature chemical biology 20080101 |
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