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313552-99-7 | N-Ethyl-4-(dimethylamino)benzylamine
CAS No: 313552-99-7 Catalog No: AG003SZT MDL No:MFCD00465457
Product Description
Catalog Number:
AG003SZT
Chemical Name:
N-Ethyl-4-(dimethylamino)benzylamine
CAS Number:
313552-99-7
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
MDL Number:
MFCD00465457
IUPAC Name:
4-(ethylaminomethyl)-N,N-dimethylaniline
InChI:
InChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3
InChI Key:
JPQUAUQJXYRDKM-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)N(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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