5-(Aminomethyl)isoindolin-1-one Hydrochloride - CAS 1422057-35-9

Catalog:	BB074372
Product Name:	5-(Aminomethyl)isoindolin-1-one Hydrochloride
CAS:	1422057-35-9
Synonyms:	5-(aminomethyl)isoindolin-1-one hydrochloride; 5-(aminomethyl)-2,3-dihydroisoindol-1-one; hydrochloride; 5-(aMinoMethyl)isoindolin-1-one HCl

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-(aminomethyl)-2,3-dihydroisoindol-1-onehydrochloride
Molecular Weight:	162.19 + (36.46)
Molecular Formula:	C9H10N2O·(HCl)
Canonical SMILES:	C1C2=C(C=CC(=C2)CN)C(=O)N1.Cl
InChI:	InChI=1S/C9H10N2O.ClH/c10-4-6-1-2-8-7(3-6)5-11-9(8)12/h1-3H,4-5,10H2,(H,11,12)1H
InChI Key:	VZQKBHBQOZPPRR-UHFFFAOYSA-N
References:	Bi, L., et al. Asian J. Chem., 26, 6655 (2014).

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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:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0559907
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	198.0559907
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0