3-(Dimethylaminomethyl)-7-azaindole - CAS 5654-92-2

Catalog:	BB029399
Product Name:	3-(Dimethylaminomethyl)-7-azaindole
CAS:	5654-92-2
Synonyms:	N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
Description:	3-(Dimethylaminomethyl)-7-azaindole (CAS# 5654-92-2) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C10H13N3
Canonical SMILES:	CN(C)CC1=CNC2=C1C=CC=N2
InChI:	InChI=1S/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12)
InChI Key:	RFLCFQLBXWLHKX-UHFFFAOYSA-N
Boiling Point:	304.2 °C at 760 mmHg
Purity:	> 95 %
Density:	1.155 g/cm³
MDL:	MFCD01580034
LogP:	1.62450

Publication Number	Title	Priority Date
WO-2018213422-A1	Compounds and uses thereof	20170517
TW-201738244-A	FXR regulator and its use method	20160219
WO-2017143134-A1	Fxr modulators and methods of their use	20160219
EP-3307724-B1	(z)-2-(1h-indol-3-yl)-3-(isoquinolin-5-yl)acrylonitrile derivatives and related compounds with lysosome inhibitory and anti-mitotic activity for treating hyperproliferative diseases	20150612
JP-2018518536-A	Selective anticancer compounds	20150612

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.110947427
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.110947427
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1