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1H-Indole-4-ethanamine

CAT: 0926-FI150316-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FI150316-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16176-73-1
MDL Number
MFCD08449200
Smiles
C1=CC (=C2C=CNC2=C1) CCN
Molecular Formula
C10H12N2
Molecular Weight
160.22 g/mol
Controlled
Yes

Chemical Information

2-(1H-Indol-4-yl)ethan-1-amine
CAS Number16176-73-1
PubChem CID13100901
IUPAC Name2-(1H-indol-4-yl)ethanamine
Molecular FormulaC10H12N2
Molecular Weight160.22
XLogP1.4
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
C1=CC(=C2C=CNC2=C1)CCN
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
InChIKey
XBARKDQKGSJDLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1H-Indol-4-yl)ethan-1-amine
CAS: 16176-73-1
CID: 13100901
Formula: C10H12N2
MW: 160.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.22
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass160.100048391
Monoisotopic Mass160.100048391
Topological Polar Surface Area41.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JH917042α-ETHYNYL-1H-INDOLE-3-ETHANAMINE
TRC-M426350-1Gbeta-Methyl-1H-Indole-3-ethanamine Monohydrochloride
459989-01N, N-Dipropyl-1H-indole-3-ethanamine
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TRC-T796280-2.5GN,N-5-Trimethyl-1H-indole-3-ethanamine
165494N, N-5-Trimethyl-1H-indole-3-ethanamine
TRC-C221200-500MG5-Chloro-N-methyl-1H-indole-3-ethanamine
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