Tetraaminopyrimidine sulfate

HCID 79358

Notes Reactions

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Basic information

CAS: 49647-58-7
Standard SMILES: Nc1nc(N)c(N)c(N)n1.O=S(=O)(O)O
InChIKey: MQEFDQWUCTUJCP-UHFFFAOYSA-N
Molecular formula: C4H10N6O4S
Average molar mass: 238.23 g/mol
Monoisotopic mass: 238.048424

Overview

See also: 2,4,5,6-Tetraaminopyrimidine, sulfate (annotation moved to).

Names & identifiers

Preferred name: Tetraaminopyrimidine sulfate
IUPAC: pyrimidine-2,4,5,6-tetramine;sulfuric acid
English name: Pyrimidinetetraamine/sulfuric acid,(1:x)
Molecular formula: C4H8N6.H2SO4
Molecular weight: 238.23

Names & synonyms

5392-28-9tetraaminopyrimidine sulfatePyrimidinetetramine, sulfate (1:1)Pyrimidinetetramine, sulfatePyrimidinetetrayltetraamine sulphateNSC 32772,4,5,6-Pyrimidinetetramine, sulfate (1:1)53QQY0I99MPyrimidine, tetraamino-, sulfate (1:1)NSC-3277EINECS 226-393-0EINECS 256-407-0

Show more names

pyrimidinetetramine sulfatepyrimidine-2,4,5,6-tetramine(2,4,6-triaminopyrimidin-5-yl)aminePyriMidine-2,4,5,6-tetraaMine xsulfatePyrimidinetetraamine/sulfuric acid,(1:x)2,4,5,6-Tetraaminopyrimidine sulfate ISO 9001：2015 REACH

2,4,5,6-Pyrimidinetetramine, sulfate (1:?)NSC-227862tetra-Aminopyrimidine sulfateAI3-171302,4,5,6-TETRAAMINOPYRIMIDINE SULFATE (1:1)RefChem:896685TETRAAMINOPYRIMIDINE SULFATE [INCI]2,4,5,6-Tetraaminopyrimidine sulfate

Database identifiers

CAS: 49647-58-7、5392-28-9
PubChem CID: 79358
DTXSID: DTXSID0037023
ChEMBL: CHEMBL3185354
UNII: 53QQY0I99M
EC Number: 226-393-0、256-407-0

Properties

Computed structural properties

Topological polar surface area: 213 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 360 °C · >360 °C
storage temp.: Refrigerator
solubility: DMSO (Slightly, Heated), Water (Very Slightly, Heated)
form: Solid
color: Light Yellow to Brown
EPA Substance Registry System: Pyrimidinetetramine, sulfate (49647-58-7)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.9% (1 of 35) of reports.

Warning

H315 (31.4%): 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 35 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPyrimidinetetramine, sulfate (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (31.4%)