1,7-Naphthyridin-8-amine - CAS 17965-82-1

Catalog:	BB058811
Product Name:	1,7-Naphthyridin-8-amine
CAS:	17965-82-1
Synonyms:	8-Amino-1,7-naphthyridine

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Computed Properties

IUPAC Name:	1,7-naphthyridin-8-amine
Description:	1,7-Naphthyridin-8-amine is a useful chemical in organic synthesis.
Molecular Weight:	145.16
Molecular Formula:	C8H7N3
Canonical SMILES:	C1=CC2=C(C(=NC=C2)N)N=C1
InChI:	InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)
InChI Key:	LRKLTZGZHDEBME-UHFFFAOYSA-N
References:	Hu, Shuanghua, et al. Bioorg. & Med. Chem., 22(5), 1782-1790 (2014);Sun, Wei, et al. Bioorg. & Med. Chem. Let., 25(4), 803-806 (2015);Engers, Darren W., et al. ACS Chem. Neurosci., 7(9), 1192-1200 (2016).

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PMID	Publication Date	Title	Journal
4189	19760401	Towards rational therapy with monoamine oxidase inhibitors	The British journal of psychiatry : the journal of mental science
3823	19760101	On the influence of prostaglandin F2alpha-induced labor at term on the metabolism and coagulation of mother and fetus	Prostaglandins

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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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.063997236
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8