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13708-58-2 | 1H-Indole-1-ethanamine
CAS No: 13708-58-2 Catalog No: AG0012TW MDL No:MFCD03643872
Product Description
Catalog Number:
AG0012TW
Chemical Name:
1H-Indole-1-ethanamine
CAS Number:
13708-58-2
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD03643872
IUPAC Name:
2-indol-1-ylethanamine
InChI:
InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2
InChI Key:
BXEFQUSYBZYTAE-UHFFFAOYSA-N
SMILES:
NCCn1ccc2c1cccc2
NSC Number:
87953
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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