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17780-75-5 | 2-Propyn-1-amine, N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-, hydrochloride (1:1)
CAS No: 17780-75-5 Catalog No: AG0025KE MDL No:MFCD00052012
Product Description
Catalog Number:
AG0025KE
Chemical Name:
2-Propyn-1-amine, N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-, hydrochloride (1:1)
CAS Number:
17780-75-5
Molecular Formula:
C13H16Cl3NO
Molecular Weight:
308.6312
MDL Number:
MFCD00052012
IUPAC Name:
3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H
InChI Key:
BBAZDLONIUABKI-UHFFFAOYSA-N
SMILES:
C#CCN(CCCOc1ccc(cc1Cl)Cl)C.Cl
EC Number:
241-760-5
UNII:
H38V165133
NSC Number:
759306
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.627g/mol
Monoisotopic Mass:
307.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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