2-Amino-5-methoxypyrazine - CAS 54013-07-9

Catalog:	BB028460
Product Name:	2-Amino-5-methoxypyrazine
CAS:	54013-07-9
Synonyms:	5-methoxy-2-pyrazinamine; 5-methoxypyrazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-methoxypyrazin-2-amine
Description:	2-Amino-5-methoxypyrazine (CAS# 54013-07-9) is a useful research chemical compound.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	COC1=NC=C(N=C1)N
InChI:	InChI=1S/C5H7N3O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3,(H2,6,7)
InChI Key:	BWXBZAOCBVXFMQ-UHFFFAOYSA-N
Boiling Point:	258.749 °C at 760 mmHg
Density:	1.225 g/cm³
MDL:	MFCD09909647
LogP:	0.64860

Publication Number	Title	Priority Date
WO-2019166824-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
EP-3759106-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-10669242-B2	Clostridium difficile toxin inhibitors	20160610

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6