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227199-51-1 | (2-Isopropoxyphenyl);methanamine
CAS No: 227199-51-1 Catalog No: AG003BNM MDL No:MFCD04037890
Product Description
Catalog Number:
AG003BNM
Chemical Name:
(2-Isopropoxyphenyl);methanamine
CAS Number:
227199-51-1
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD04037890
IUPAC Name:
(2-propan-2-yloxyphenyl)methanamine
InChI:
InChI=1S/C10H15NO/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8H,7,11H2,1-2H3
InChI Key:
RJWAKPHKRZMFHG-UHFFFAOYSA-N
SMILES:
NCc1ccccc1OC(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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