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174636-87-4 | Benzenemethanamine, α-ethyl-4-methyl-
CAS No: 174636-87-4 Catalog No: AG001ZU6 MDL No:MFCD02244256
Product Description
Catalog Number:
AG001ZU6
Chemical Name:
Benzenemethanamine, α-ethyl-4-methyl-
CAS Number:
174636-87-4
Molecular Formula:
C10H15N
Molecular Weight:
149.2328
MDL Number:
MFCD02244256
IUPAC Name:
1-(4-methylphenyl)propan-1-amine
InChI:
InChI=1S/C10H15N/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10H,3,11H2,1-2H3
InChI Key:
FWTZOQCAVLMPJE-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C)N
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.237g/mol
Monoisotopic Mass:
149.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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