1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole

Catalog Number	ACM26585148
CAS Number	26585-14-8
Structure
Synonyms	1-Ethyl-4-methoxy-beta-carboline
IUPAC Name	1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole
Molecular Weight	226.27
Molecular Formula	C14H14N2O
Canonical SMILES	CCC1=NC=C(C2=C1NC3=CC=CC=C32)OC
InChI	InChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3
InChI Key	LWWRUTVIAQDHRE-UHFFFAOYSA-N
Boiling Point	427.2±40.0 °C
Melting Point	168 °C
Purity	98%
Density	1.216±0.06 g/ml
Appearance	Solid
Complexity	271
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	226.110613074
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Monoisotopic Mass	226.110613074
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	37.9 Ų

Custom Q&A

What is the chemical formula of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The chemical formula is C14H14N2O.

What is the molecular weight of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The molecular weight is 226.27 g/mol.

What is the CAS number of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The CAS number is 26585-14-8.

What are the synonyms of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The synonyms are Crenatine, 1-Ethyl-4-methoxy-beta-carboline, Crenatin, and 1-Ethyl-4-methoxy-β-carboline.

What category does 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole belong to?

It belongs to the category of Alkaloids.

What is the melting point of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The melting point is 168 °C.

What is the predicted boiling point of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The predicted boiling point is 427.2±40.0 °C.

What is the predicted density of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The predicted density is 1.216±0.06 g/cm3.

What is the predicted pka value of 1-Ethyl-4-methoxy-9H-pyrido[3,4-b]indole?

The predicted pka value is 15.53±0.40.

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