Methyl 6-Aminopyrazine-2-carboxylate - CAS 118853-60-4

Catalog:	BB004318
Product Name:	Methyl 6-Aminopyrazine-2-carboxylate
CAS:	118853-60-4
Synonyms:	6-amino-2-pyrazinecarboxylic acid methyl ester; methyl 6-aminopyrazine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-aminopyrazine-2-carboxylate
Description:	Methyl 6-Aminopyrazine-2-carboxylate (CAS# 118853-60-4) is used in preparation of bicyclic compounds for use in antibacterial applications.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	COC(=O)C1=CN=CC(=N1)N
InChI:	InChI=1S/C6H7N3O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3,(H2,7,9)
InChI Key:	MFQOPTGQOOILCR-UHFFFAOYSA-N
Boiling Point:	341.2 °C at 760 mmHg
Density:	1.319 g/cm³
MDL:	MFCD10697802
LogP:	0.42660

Publication Number	Title	Priority Date
AU-2016307969-A1	Antibacterial agents comprising a pyrazino[2,3-b][1,4]oxazin-3-one or a related ring system	20150816
AU-2016307969-B2	Antibacterial agents comprising a pyrazino[2,3-b][1,4]oxazin-3-one or a related ring system	20150816
AU-2016307969-C1	Antibacterial agents comprising a pyrazino[2,3-b][1,4]oxazin-3-one or a related ring system	20150816
AU-2019200226-A1	Antibacterial agents comprising a pyrazino[2,3-b][1,4]oxazin-3-one or a related ring system	20150816
AU-2019200226-B2	Antibacterial agents comprising a pyrazino[2,3-b][1,4]oxazin-3-one or a related ring system	20150816

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8