CAS 1458-01-1 Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate (HCID 73827)

Names & identifiers

Preferred name: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
IUPAC: methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
English name: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Molecular formula: C6H7ClN4O2
Molecular weight: 202.6

Names & synonyms

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate3,5-Diamino-6-chloropyrazine-2-carboxylic Acid Methyl Ester2-PYRAZINECARBOXYLIC ACID, 3,5-DIAMINO-6-CHLORO-, METHYL ESTERUNII-4KAT2Q9CHL4KAT2Q9CHLMethyl 3,5-diamino-6-chloropyrazinecarboxylatePyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl esterEINECS 215-946-1DTXSID20163161AMILORIDE HYDROCHLORIDE IMPURITY A [EP IMPURITY]AMILORIDE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:157402

Show more names

3,5-diamino-6-chLMethyl 3,5-diamino-6oropyrazine-2-carboxyLAmiloride EP Impurity AAmiloride impurity A CRSAmiloriderelatedcompoundAAmiloride USP Related Compound AAmiloride EP Impurity A(USP RC A)Methyl 3,5-Diamino-6-chloropyrazineMETHYL 3,5-DIAMINO-6-CHLOROPYRAZINE-2-C&

DTXCID60856521458-01-1MFCD01928388C6H7ClN4O2Methyl 3,5-diamino-6-chloro-2-pyrazinecarboxylatemethyl-3,5-diamino-6-chloropyrazine-2-carboxylateMETHYL 3, 5-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXYLATEMethyl3,5-diamino-6-chloropyrazine-2-carboxylate

Database identifiers

CAS: 1458-01-1
PubChem CID: 73827
DTXSID: DTXSID20163161
UNII: 4KAT2Q9CHL
EC Number: 215-946-1
Nikkaji: J298.643D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 203

Physicochemical properties

Melting point: 211 · 211-215 °C (lit.)
Boiling point: 449.9 · 449.9±40.0 °C(Predicted)
Density: 1.555 · 1.555±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
form: solid
pka: -0.1 · -0.10±0.10(Predicted)
color: Light Brown to Brown
Stability: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(N)N=C1N
CAS DataBase Reference: 1458 · 1458-01-1(CAS DataBase Reference)
FDA UNII: 4 KAT2Q9CHL · 4KAT2Q9CHL
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 305 · P305+P351+P338-P261-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HS Code: 2933997500 · 2933997500
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H315 (88.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19217

Hazard Classes and CategoriesSkin Irrit. 2 (88.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933997500
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P305+P351+P338-P261-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a