tetra-Aminopyrimidine

HCID 70487

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Basic information

CAS: 1004-74-6
Standard SMILES: Nc1nc(N)c(N)c(N)n1
InChIKey: PZRKPUQWIFJRKZ-UHFFFAOYSA-N
Molecular formula: C4H8N6
Average molar mass: 140.15 g/mol
Monoisotopic mass: 140.08104428

Names & identifiers

Preferred name: tetra-Aminopyrimidine
IUPAC: pyrimidine-2,4,5,6-tetramine
English name: 2,4,5,6-TETRAAMINOPYRIMIDINE
Molecular formula: C4H8N6
Molecular weight: 140.15

Names & synonyms

2,4,5,6-Tetraaminopyrimidine1004-74-6Pyrimidinetetramine2,4,5,6-Pyrimidinetetraminetetra-aminopyrimidinetetraaminopyrimidineBRN 0144442EINECS 213-724-9UNII-24FC717FE524FC717FE5PYRIMIDINE, TETRAAMINO-DTXSID9043807

Show more names

2,4,5,6-tetraaminopyrimidinesulphatemonohydratePyrimidinetetraaminePyrini-dinetetramine6-Tetraaminopyrimidine2,4,5,6-Pyrimidinetetraamine2,4,5,6-tetraamino-pyrimidin2,4,5,6-Tetraaminopyrimidiine

5-25-12-00377 (Beilstein Handbook Reference)RefChem:188356DTXCID7023807213-724-9PZRKPUQWIFJRKZ-UHFFFAOYSA-Npyrimidine-2,4,5,6-tetraminePyrimidine, 2,4,5,6-tetraamino-MFCD00152825

Database identifiers

CAS: 1004-74-6
PubChem CID: 70487
DTXSID: DTXSID9043807
ChEMBL: CHEMBL2151966
UNII: 24FC717FE5
EC Number: 213-724-9
Nikkaji: J51.390C

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 130 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 563.9 · 563.9±60.0 °C(Predicted)
Density: 1.648 · 1.648±0.06 g/cm3(Predicted)
pka: 6.97 · 6.97±0.10(Predicted)
CAS DataBase Reference: 1004 · 1004-74-6(CAS DataBase Reference)
FDA UNII: 24 FC717FE5 · 24FC717FE5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Risk Statements: 20 · 20/22
Safety Statements: 36 · 36/37
HS Code: 29335990 · 29335990

Safety & regulation

Hazard information

Regulatory InformationPyrimidinetetramine: 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.

Safety data

hs_code: 29335990
risk_code: 20/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362