Lumazine

HCID 10250

Basic information

CAS
487-21-8
Standard SMILES
O=c1[nH]c(=O)c2nccnc2[nH]1
InChIKey
UYEUUXMDVNYCAM-UHFFFAOYSA-N
Molecular formula
C6H4N4O2
Average molar mass
164.12 g/mol
Monoisotopic mass
164.03342538

Names & identifiers

Preferred name
Lumazine
IUPAC
1H-pteridine-2,4-dione
English name
Lumazine
Molecular formula
C6H4N4O2
Molecular weight
164.12

Names & synonyms

Lumazine487-21-82,4-Pteridinediol2,4-DIHYDROXYPTERIDINE2,4(1H,3H)-Pteridinedionepteridine-2,4-diolLumazin1H-pteridine-2,4-dionePteridine-2,4-dione2,4(3H,8H)-Pteridinedione260MF9U4WCNSC-41801
Show more names
NSC 41801Lumazine>Lumazine,98%LUMAZINE 99+%Pteridine-2,4-
NSC-225113DTXSID0060068CHEBI:16489RefChem:800120DTXCID9040639CHEBI:73186207-652-7pteridine-2,4(1H,3H)-dione

Database identifiers

CAS
487-21-8
PubChem CID
10250
DTXSID
DTXSID0060068
ChEMBL
CHEMBL1234104
ChEBI
CHEBI:16489
UNII
260MF9U4WC
EC Number
207-652-7
Nikkaji
J6.019D

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
84 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

Collision Cross Section · 3 items

132.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];125.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];143.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

128.55 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

134.6 Ų [M+H]+;126.6 Ų [M-H]-;145 Ų [M+Na]+

Physicochemical properties

Melting point
300 °C · 300 °C
Boiling point
291.56 °C · 291.56°C (rough estimate)
Density
1.5129 · 1.5129 (rough estimate)
refractive index
1.69 · 1.6900 (estimate)
storage temp.
-20 °C · -20°C Freezer
solubility
DMSO (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information2,4(1H,3H)-Pteridinedione: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.3%);Eye Irrit. 2A (100%)

Regulatory information

Regulatory Information2,4(1H,3H)-Pteridinedione: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
UO3416000
hs_code
29335995
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,4(1H,3H)-Pteridinedione: INACTIVE

Applications

UsesLumazine is a new MALDI matrix for complex (phospho)lipid mixtures analysis.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: A 2,4-dihydroxypteridine.

Related reactions

8 records

Compound notes

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