5-Nitroso-4,6-pyrimidinediamine

HCID 259752

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Basic information

CAS: 61908-15-4
Standard SMILES: Nc1ncnc(N)c1N=O
InChIKey: XOUCPTSENBHIRW-UHFFFAOYSA-N
Molecular formula: C4H5N5O
Average molar mass: 139.12 g/mol
Monoisotopic mass: 139.04940978

Names & identifiers

Preferred name: 5-Nitroso-4,6-pyrimidinediamine
IUPAC: 5-nitrosopyrimidine-4,6-diamine
English name: 4,6-Pyrimidinediamine, 5-nitroso- (9CI)
Molecular formula: C4H5N5O
Molecular weight: 139.12

Names & synonyms

61908-15-44,6-Pyrimidinediamine, 5-nitroso-4,6-diamino-5-nitrosopyrimidine5-Nitroso-4,6-pyrimidinediamineRV93F0GGU3NSC 90288NSC-90288NSC 163508NSC-163508DTXSID60210941PYRIMIDINE, 4,6-DIAMINO-5-NITROSO-RefChem:537461

Show more names

5-nitroso-pyrimidine-4,6-diamine

DTXCID90133432654-702-25-nitrosopyrimidine-4,6-diamine4,6-Pyrimidinediamine, 5-nitroso- (9CI)NSC90288NSC1635084, 5-nitroso-UNII-RV93F0GGU3

Database identifiers

CAS: 61908-15-4
PubChem CID: 259752
DTXSID: DTXSID60210941
UNII: RV93F0GGU3
EC Number: 654-702-2
Nikkaji: J907.710C

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 350 °C · >350 °C
Boiling point: 455.1 · 455.1±45.0 °C(Predicted)
Density: 1.89 · 1.89±0.1 g/cm3(Predicted)
pka: 3.07 · 3.07±0.10(Predicted)
FDA UNII: 93 F0GGU3 · RV93F0GGU3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H317
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H317
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501