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81731-43-3 | 2-Isopropoxyethanamine
CAS No: 81731-43-3 Catalog No: AG003GJB MDL No:MFCD00191603
Product Description
Catalog Number:
AG003GJB
Chemical Name:
2-Isopropoxyethanamine
CAS Number:
81731-43-3
Molecular Formula:
C5H13NO
Molecular Weight:
103.1628
MDL Number:
MFCD00191603
IUPAC Name:
2-propan-2-yloxyethanamine
InChI:
InChI=1S/C5H13NO/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
InChI Key:
USECIYVEPXUVHT-UHFFFAOYSA-N
SMILES:
NCCOC(C)C
Properties
Complexity:
37.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.1g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
103.165g/mol
Monoisotopic Mass:
103.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| 8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents. | Journal of medicinal chemistry 20110310 |
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