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262368-64-9 | Benzenamine, 4-[(4-methyl-1-piperidinyl)methyl]-
CAS No: 262368-64-9 Catalog No: AG002SEK MDL No:MFCD03856632
Product Description
Catalog Number:
AG002SEK
Chemical Name:
Benzenamine, 4-[(4-methyl-1-piperidinyl)methyl]-
CAS Number:
262368-64-9
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD03856632
IUPAC Name:
4-[(4-methylpiperidin-1-yl)methyl]aniline
InChI:
InChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3
InChI Key:
UJZKENORBCZXBM-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)Cc1ccc(cc1)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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