Methyl 3-aminopyrazinecarboxylate

HCID 72669
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Basic information

CAS
16298-03-6
Standard SMILES
COC(=O)c1nccnc1N
InChIKey
INCSQLZZXBPATR-UHFFFAOYSA-N
Molecular formula
C6H7N3O2
Average molar mass
153.14 g/mol
Monoisotopic mass
153.05382646

Overview

Methyl 3-aminopyrazine-2-carboxylate is a pyrazine that is substituted by a methoxycarbonyl group at position 2 and an amino group at position 3. It is a methyl ester, an aromatic amine and a member of pyrazines.

Names & identifiers

Preferred name
Methyl 3-aminopyrazinecarboxylate
IUPAC
methyl 3-aminopyrazine-2-carboxylate
English name
Methyl 3-amino-2-pyrazinecarboxylate
Molecular formula
C6H7N3O2
Molecular weight
153.14

Names & synonyms

16298-03-6methyl 3-aminopyrazine-2-carboxylateMethyl 2-aminopyrazine-3-carboxylate3-Aminopyrazine-2-carboxylic Acid Methyl EsterMethyl 3-aminopyrazinecarboxylate2-Pyrazinecarboxylic acid, 3-amino-, methyl estermethyl 3-amino-2-pyrazine carboxylatePyrazinecarboxylic acid, 3-amino-, methyl esterNSC 123649B2B97688ND2-Amino-3-(methoxycarbonyl)pyrazineEINECS 240-387-5
Show more names
AKOS 90402BUTTPARK 35\02-15TIMTEC-BB SBB004048Methyl 3-amino-2-pyr2-aMino-pyrazine-2-Methyl3-amino-2-pyrazinecarboxyL
NSC-1236493-aminopyrazinecarboxylic acid methyl esterCHEBI:145238DTXSID10167496EC 240-387-5PYRAZINOIC ACID, 3-AMINO-, METHYL ESTERRefChem:815268DTXCID0089987

Database identifiers

CAS
16298-03-6
PubChem CID
72669
DTXSID
DTXSID10167496
ChEMBL
CHEMBL1866348
ChEBI
CHEBI:145238
UNII
B2B97688ND
EC Number
240-387-5
Nikkaji
J236.297J

Properties

Computed structural properties

XLogP
0
Topological polar surface area
78.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
169 · 169-172 °C (lit.)
Boiling point
300.8 · 300.8±37.0 °C(Predicted)
Density
1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Sealed in dry,2-8°C
solubility
Chloroform, Methanol
pka
-0.3 · -0.30±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (58.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22882
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29339900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesMethyl 3-amino-2-pyrazinecarboxylate has been used in: synthesis of 2-arylpteridin-4-ones and piperazine-derived 2-furan-2-yl-[1,2,4]triazolo[1,5-a] pyrazinesreactions with isocyanates and aroyl chlorides for conversion to pteridinediones

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: Methyl 3-aminopyrazine-2-carboxylate is a pyrazine that is substituted by a methoxycarbonyl group at position 2 and an amino group at position 3. It is a member of pyrazines, a methyl ester and an aromatic amine.

Related reactions

94 records
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Compound notes

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