dimethyl-1H-1,2,4-triazol-3-amine

HCID 307976

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Basic information

CAS: 34776-19-7
Standard SMILES: Cc1nc(N)nn1C
InChIKey: IUOZPYYXZYMRIJ-UHFFFAOYSA-N
Molecular formula: C4H8N4
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.07489626

Names & identifiers

Preferred name: dimethyl-1H-1,2,4-triazol-3-amine
IUPAC: 1,5-dimethyl-1,2,4-triazol-3-amine
English name: 1,5-DIMETHYL-1H-[1,2,4]TRIAZOL-3-YLAMINE
Molecular formula: C4H8N4
Molecular weight: 112.13

Names & synonyms

dimethyl-1H-1,2,4-triazol-3-amineRefChem:588457974-793-534776-19-71,5-Dimethyl-1H-1,2,4-triazol-3-amine1,5-Dimethyl-1H-[1,2,4]triazol-3-ylamine1,5-dimethyl-1,2,4-triazol-3-amine3-amino-1,5-dimethyl-1H-1,2,4-triazoleMFCD08059916NSC207090SCHEMBL2359396DTXSID20308671

Show more names

CHEMBRDG-BB 40134133-Amino-1,5-dimethyltriazole1H-1,2,4-Triazol-3-amine, 1,5-dimethyl-1,5-dimethyl-1H-1,2,4-triazol-3-amine(SALTDATA: FREE)

IUOZPYYXZYMRIJ-UHFFFAOYSA-NALBB-032675AKOS000303151AT12440FS-6427NSC-207090SY1225771,5-dimethyl-1,2,4-triazole-3-ylamine

Database identifiers

CAS: 34776-19-7
PubChem CID: 307976
DTXSID: DTXSID20308671
EC Number: 974-793-5

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 56.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 84.1

Physicochemical properties

Melting point: 187 · 187-189 °C(Solv: benzene (71-43-2))
Boiling point: 300.7 · 300.7±25.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
pka: 5.53 · 5.53±0.10(Predicted)
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.