N-methyl-7-azaindole

HCID 583068CAS 27257-15-4

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1ccc2cccnc21
InChIKey: ZVOCBNCKNQJAFL-UHFFFAOYSA-N
Molecular formula: C8H8N2
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.06874826

Overview

structure in first source

Names & identifiers

Preferred name: N-methyl-7-azaindole
IUPAC: 1-methylpyrrolo[2,3-b]pyridine
English name: 1-Methyl-1H-pyrrolo[2,3-b]pyridine
Molecular formula: C8H8N2
Molecular weight: 132.16

Names & synonyms

N-methyl-7-azaindoleRefChem:4339341-Methyl-1H-pyrrolo[2,3-b]pyridine27257-15-41-Methyl-7-Azaindole1-methylpyrrolo[2,3-b]pyridineMFCD097434511H-Pyrrolo[2,3-b]pyridine, 1-methyl-1-methyl-1H-pyrrolo(2,3-b)pyridineSCHEMBL256379SCHEMBL797323orb3023414

Show more names

SCHEMBL2065749SCHEMBL2067263SCHEMBL2980811SCHEMBL17114733SCHEMBL18228606SCHEMBL29845529DTXSID80342576TN9609

Database identifiers

CAS: 27257-15-4
PubChem CID: 583068
DTXSID: DTXSID80342576
EC Number: 958-854-3
Nikkaji: J119.271J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 112 · 112-116 °C(Press: 21 Torr)
Density: 1.107 g/cm3 · 1.107 g/cm3(Temp: 22 °C)
storage temp.: 2 · 2-8°C
pka: 5.35 · 5.35±0.30(Predicted)
Appearance: Light yellow to green yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesN-Methyl-d3-7-azaindole is a labeled reactant used in the preparation of blue fluorescent amino acids as in vivo building blocks for protein engineering.