6-(2-Aminoethyl)-1H-indazole - CAS 1159511-47-3

Name: 6-(2-Aminoethyl)-1H-indazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061518
Product Name:	6-(2-Aminoethyl)-1H-indazole
CAS:	1159511-47-3
Synonyms:	2-(1H-Indazol-6-yl)ethan-1-amine; 2-(2H-Indazol-6-yl)ethan-1-amine; 1H-Indazole-6-ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(1H-indazol-6-yl)ethanamine
Molecular Weight:	161.2
Molecular Formula:	C9H11N3
Canonical SMILES:	C1=CC2=C(C=C1CCN)NN=C2
InChI:	InChI=1S/C9H11N3/c10-4-3-7-1-2-8-6-11-12-9(8)5-7/h1-2,5-6H,3-4,10H2,(H,11,12)
InChI Key:	WPDRJEQNMNFKOY-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Yellow Solid
Storage:	-20°C
References:	Morrow, Benjamin J., et al. PCT Int. Appl., (2019).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.095297364
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.095297364
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1