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80912-09-0 | phenol, 2-methoxy-6-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-
CAS No: 80912-09-0 Catalog No: AG0050S0 MDL No:MFCD07432803
Product Description
Catalog Number:
AG0050S0
Chemical Name:
phenol, 2-methoxy-6-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-
CAS Number:
80912-09-0
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
MDL Number:
MFCD07432803
IUPAC Name:
2,3-dimethylimidazol-4-amine
InChI:
InChI=1S/C5H9N3/c1-4-7-3-5(6)8(4)2/h3H,6H2,1-2H3
InChI Key:
CNBBPEZNHKKEKJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)C1CC2CC1C(C2(C)C)C
Properties
Complexity:
83.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.08g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.148g/mol
Monoisotopic Mass:
111.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Structure of a substrate complex of mammalian cytochrome P450 2C5 at 2.3 A resolution: evidence for multiple substrate binding modes. | Biochemistry 20030603 |
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