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16176-73-1 | 1H-INDOLE-4-ETHANAMINE
CAS No: 16176-73-1 Catalog No: AG001VVO MDL No:MFCD08449200
Product Description
Catalog Number:
AG001VVO
Chemical Name:
1H-INDOLE-4-ETHANAMINE
CAS Number:
16176-73-1
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD08449200
IUPAC Name:
2-(1H-indol-4-yl)ethanamine
InChI:
InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
InChI Key:
XBARKDQKGSJDLG-UHFFFAOYSA-N
SMILES:
NCCc1cccc2c1cc[nH]2
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:
2
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| [2-(1H-Indol-4-yl)eth-yl]dipropyl-amine. | Acta crystallographica. Section E, Structure reports online 20120501 |
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