Name: Name:1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE
Brand: Angene
SKU: AG00C9L0
Rating: 90 (10 reviews)

1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE

CAS No.:

3790-45-2

Catalog Number:

AG00C9L0

Molecular Formula:

C17H16N2

Molecular Weight:

248.3223

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Purity

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Product Description

Catalog Number:

AG00C9L0

Chemical Name:

1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE

CAS Number:

3790-45-2

Molecular Formula:

C17H16N2

Molecular Weight:

248.3223

MDL Number:

MFCD00551306

IUPAC Name:

1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

InChI:

InChI=1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2

InChI Key:

INERHEQVAVQJBO-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1

Properties

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.329g/mol

Monoisotopic Mass:

248.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthetic analogs of indole-containing natural products as inhibitors of sortase A and isocitrate lyase.	Bioorganic & medicinal chemistry letters 20101201
M4 agonists/5HT7 antagonists with potential as antischizophrenic drugs: serominic compounds.	Bioorganic & medicinal chemistry letters 20070501

Properties