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5-Aminopropylindole

CAT: 0572-TRC-A628350-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A628350-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3784-30-3
Synonyms
5-IT; 5-API; 5-(2-Aminopropyl)indole; alpha-Methyl-1H-indole-5-ethanamine; 5-(2-Aminopropyl)-indole; 5-Aminopropylindole
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(N)Cc1ccc2[nH]ccc2c1
Molecular Formula
C11 H14 N2
Molecular Weight
174.24
InChI
InChI=1S/C11H14N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8,13H,6,12H2,1H3
Additionnal Information
IUPAC name: 1-(1H-indol-5-yl)propan-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha-Methyl-1H-indole-5-ethanamine

structure in first source

CAS Number3784-30-3
PubChem CID55253543
IUPAC Name1-(1H-indol-5-yl)propan-2-amine
Molecular FormulaC11H14N2
Molecular Weight174.24
XLogP2.1
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
CC(CC1=CC2=C(C=C1)NC=C2)N
InChI
InChI=1S/C11H14N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8,13H,6,12H2,1H3
InChIKey
AULGMISRJWGTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Methyl-1H-indole-5-ethanamine
CAS: 3784-30-3
CID: 55253543
Formula: C11H14N2
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass174.115698455
Monoisotopic Mass174.115698455
Topological Polar Surface Area41.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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