Structure

5H-Pyrido[3,2-b]indole

CAS
245-08-9
Catalog Number
ACM245089
Category
Organic & Printed Electronics
Molecular Weight
168.2
Molecular Formula
C11H8N2

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Specification

Synonyms
δ-Carboline
IUPAC Name
5H-pyrido[3,2-b]indole
Canonical SMILES
C1(C=CC=C2)=C2C(N=CC=C3)=C3N1
InChI
InChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H
InChI Key
NSBVOLBUJPCPFH-UHFFFAOYSA-N
Boiling Point
372.9ºC at 760mmHg
Melting Point
213 °C
Flash Point
171.6ºC
Density
1.301g/cm3
Appearance
White to Yellow to Green powder to crystal
Application
Novel aromatic amine compound for organic electroluminescent device, illuminating device and display.
Storage
room temp
Assay
99% (HPLC)
Exact Mass
168.06900
Form
powder
Hazard Statements
H301
H-Bond Acceptor
1
H-Bond Donor
1
MDL Number
MFCD13178683
Packaging
250 mg in glass bottle
Precautionary Statements
P301+P330+P331+P310
Quality Level
100
Signal Word
Danger
What is the molecular formula of 5H-Pyrido[3,2-b]indole?

The molecular formula is C11H8N2.

What are the synonyms of 5H-Pyrido[3,2-b]indole?

The synonyms are delta-Carboline and 5H-Pyrido(3,2-b)indole.

What is the molecular weight of 5H-Pyrido[3,2-b]indole?

The molecular weight is 168.19 g/mol.

What is the IUPAC name of 5H-Pyrido[3,2-b]indole?

The IUPAC name is 5H-pyrido[3,2-b]indole.

What is the InChI of 5H-Pyrido[3,2-b]indole?

The InChI is InChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H.

What is the InChIKey of 5H-Pyrido[3,2-b]indole?

The InChIKey is NSBVOLBUJPCPFH-UHFFFAOYSA-N.

What is the canonical SMILES of 5H-Pyrido[3,2-b]indole?

The canonical SMILES is C1=CC=C2C(=C1)C3=C(N2)C=CC=N3.

What is the CAS number of 5H-Pyrido[3,2-b]indole?

The CAS number is 245-08-9.

What is the XLogP3-AA value of 5H-Pyrido[3,2-b]indole?

The XLogP3-AA value is 2.4.

Is 5H-Pyrido[3,2-b]indole canonicalized?

Yes, 5H-Pyrido[3,2-b]indole is canonicalized.

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