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823188-79-0 | N-Methyl-1-(4-(pyrrolidin-1-yl);phenyl);methanamine
CAS No: 823188-79-0 Catalog No: AG00552H MDL No:MFCD07686040
Product Description
Catalog Number:
AG00552H
Chemical Name:
N-Methyl-1-(4-(pyrrolidin-1-yl);phenyl);methanamine
CAS Number:
823188-79-0
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
MDL Number:
MFCD07686040
IUPAC Name:
N-methyl-1-(4-pyrrolidin-1-ylphenyl)methanamine
InChI:
InChI=1S/C12H18N2/c1-13-10-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7,13H,2-3,8-10H2,1H3
InChI Key:
DJSIBXGPJNBMBD-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)N1CCCC1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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