6-(Aminomethyl)indole - CAS 3468-17-5

Catalog:	BB022236
Product Name:	6-(Aminomethyl)indole
CAS:	3468-17-5
Synonyms:	1H-indol-6-ylmethanamine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1H-indol-6-ylmethanamine
Description:	6-(Aminomethyl)indole (CAS# 3468-17-5) is a useful research chemical.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	C1=CC(=CC2=C1C=CN2)CN
InChI:	InChI=1S/C9H10N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6,10H2
InChI Key:	FURRUNQWZZOXOT-UHFFFAOYSA-N
Boiling Point:	335.599 °C at 760 mmHg
Purity:	95 %
Density:	1.2 g/cm³
MDL:	MFCD06213839
LogP:	2.32690

Publication Number	Title	Priority Date
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	20191202
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
WO-2020173935-A1	New isoindolinone substituted indoles and derivatives as ras inhibitors	20190226
CN-113474340-A	Novel isoindolinone substituted indoles and derivatives as RAS inhibitors	20190226
AU-2017260298-A1	Adenine derivatives as protein kinase inhibitors	20160504

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GHS Hazard Statement:	H302 (100%): 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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8