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149-16-6 | 1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate)
CAS No: 149-16-6 Catalog No: AG001LCC MDL No:MFCD00056117
Product Description
Catalog Number:
AG001LCC
Chemical Name:
1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate)
CAS Number:
149-16-6
Molecular Formula:
C18H30N2O2
Molecular Weight:
306.4430
MDL Number:
MFCD00056117
IUPAC Name:
3-(dibutylamino)propyl 4-aminobenzoate
InChI:
InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChI Key:
HQFWVSGBVLEQGA-UHFFFAOYSA-N
SMILES:
CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N
EC Number:
205-734-7
UNII:
Z84S23CGJJ
NSC Number:
758632
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.231g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.45g/mol
Monoisotopic Mass:
306.231g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Solubility-excipient classification gradient maps. | Pharmaceutical research 20070301 |
| PAMPA - excipient classification gradient map. | Pharmaceutical research 20061101 |
| 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 |
| Managing patients with local anesthetic complications using alternative methods. | Pennsylvania dental journal 20020101 |
| Selective dopaminergic vulnerability: 3,4-dihydroxyphenylacetaldehyde targets mitochondria. | Free radical biology & medicine 20010415 |
| Keratitis from misuse of corneal anesthetics. | The New England journal of medicine 19680822 |
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