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Tetrahydro-β-carboline

CAT: 0607-A4711-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A4711-5000Size:5 g
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CAS Number
16502-01-5
Product Name Alternative
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Synonyms
Tryptoline
Purity
0.98
Solubility
≥22.1 mg/mL in DMSO; ≥4.73 mg/mL in EtOH; insoluble in H2O
Smiles
C (CNC1) c2c1[nH]c1c2cccc1
Molecular Formula
C11H12N2
Molecular Weight
172.23
Shipping Conditions
Blue Ice
Storage Conditions
Store at -20°C

Chemical Information

Tetrahydro-beta-carboline

2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is a member of beta-carbolines.

CAS Number16502-01-5
PubChem CID107838
IUPAC Name2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular FormulaC11H12N2
Molecular Weight172.23
XLogP1.5
Topological Polar Surface Area27.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1CNCC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChIKey
CFTOTSJVQRFXOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro-beta-carboline
CAS: 16502-01-5
CID: 107838
Formula: C11H12N2
MW: 172.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.23
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass172.100048391
Monoisotopic Mass172.100048391
Topological Polar Surface Area27.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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
Fr12161Tetrahydro-β-carboline
HY-20696R-01Tetrahydro-β-carboline (Standard)
HY-W031110-012-Methyl-tetrahydro-β-carboline
sc-2134651,2,3,4-Tetrahydro-β-carboline-13C, d2
HY-W094994-01α-Carboline
HY-59024-01δ-Carboline
HY-W006474-01γ-Carboline
FC19715-01A-Carboline
T40766-011,2,3,4-Tetrahydro-β-carboline-1-carboxylic acid
022177S-1-Trichloromethyl-1,2,3,4-Tetrahydro-β-carboline

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