3-Amino-1H-isoindole hydrochloride - CAS 76644-74-1

Catalog:	BB035649
Product Name:	3-Amino-1H-isoindole hydrochloride
CAS:	76644-74-1
Synonyms:	3H-isoindol-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3H-isoindol-1-amine;hydrochloride
Description:	3-Amino-1H-isoindole hydrochloride (CAS# 76644-74-1) is a useful research chemical.
Molecular Weight:	168.62
Molecular Formula:	C8H8N2 · HCl
Canonical SMILES:	C1C2=CC=CC=C2C(=N1)N.Cl
InChI:	InChI=1S/C8H8N2.ClH/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10);1H
InChI Key:	MRLAJFUGSBSFDH-UHFFFAOYSA-N
Boiling Point:	281.4 °C at 760 mmHg
Melting Point:	130 °C (dec.)(lit.)
Purity:	95 %
MDL:	MFCD00191737
LogP:	1.84340

Publication Number	Title	Priority Date
CN-102797043-A	Medicinal molecular fragment library and construction method thereof	20110523
CN-102797043-B	Medicinal molecular fragment library and construction process thereof	20110523
US-2008292626-A1	Kinesin inhibitors	20070522
US-2009214529-A9	Kinesin inhibitors	20070522
WO-2008147852-A1	Kinesin inhibitors	20070522

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[2642-37-7]
Indoxyl sulfate potassium salt
[171780-79-3]
5-Methoxy-7-methyl-4-azaindole
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0454260
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.0454260
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0