5-Chloro-6-quinoxalinamine - CAS 1287747-30-1

Catalog:	BB055490
Product Name:	5-Chloro-6-quinoxalinamine
CAS:	1287747-30-1
Synonyms:	5-chloroquinoxalin-6-amine; 5-chloro-6-Quinoxalinamine; 6-Quinoxalinamine, 5-chloro-

Technical Data

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Computed Properties

IUPAC Name:	5-chloroquinoxalin-6-amine
Molecular Weight:	179.61
Molecular Formula:	C8H6ClN3
Canonical SMILES:	C1=CC2=NC=CN=C2C(=C1N)Cl
InChI:	InChI=1S/C8H6ClN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
InChI Key:	ZWMOGBQIIIKCLO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
DE-2309160-A1	2-IMIDAZOLINE-2-YL-AMINO-SUBSTITUTED, BENZOCONDENSATED, HETEROCYCLIC COMPOUNDS AND MEDICINAL PREPARATIONS	19720229
FI-63757-B	FOERFARANDE FOER FRAMSTAELLNING AV NYA TERAPEUTISKT ANVAENDBARA KINOXALIN- OCH KINAZOLINDERIVAT	19720229
FI-63757-C	FOERFARANDE FOER FRAMSTAELLNING AV NYA TERAPEUTISKT ANVAENDBARA KINOXALIN- OCH KINAZOLINDERIVAT	19720229
US-3890319-A	(2-imidazolin-2-y(amino) substituted quinolines, -quinoxalines and -quinazolines as antihypertensive agents	19720229
US-4029792-A	(2-Imidazolin-2-ylamino) substituted -quinoxalines and -quinazolines as antihypertensive agents	19720229

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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:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0250249
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.0250249
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2