4,5,6,7-Tetrahydro-1,2-benzisoxazol-3-amine - CAS 1004-64-4

Catalog:	BB061606
Product Name:	4,5,6,7-Tetrahydro-1,2-benzisoxazol-3-amine
CAS:	1004-64-4
Synonyms:	4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-amine; 4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine; 1,2-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
Molecular Weight:	138.17
Molecular Formula:	C7H10N2O
Canonical SMILES:	C1CCC2=C(C1)C(=NO2)N
InChI:	InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H2,(H2,8,9)
InChI Key:	YTMJNWHCBGFYPZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2010513335-A	Tetrahydrobenzisoxazole and tetrahydroindazole derivatives as regulators of mitotic motor proteins	20061221
US-2010022530-A1	Tetrahydrobenzoisoxazole and tetrahydroindazole derivatives as modulators of the mitotic motor protein	20061221
WO-2008080455-A1	Tetrahydrobenzoisoxazole - and tetrahydroindazole derivatives as modulators of the mitotic motor protein	20061221
HU-9800631-A2	4-Amino-tetrahydro-benzisoxazole and 4-amino-tetrahydro-benzisothiazole derivatives, pharmaceutical compositions containing them and their use for the preparation of pharmaceutical compositions	19950228

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.079312947
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	52Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3