Bis(2-amino-1H-imidazole) sulphate

HCID 135136

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Basic information

CAS: 1450-93-7
Standard SMILES: Nc1ncc[nH]1.O=S(=O)(O)O
InChIKey: LEUJVEZIEALICS-UHFFFAOYSA-N
Molecular formula: C3H7N3O4S
Average molar mass: 181.17 g/mol
Monoisotopic mass: 181.0157267

Names & identifiers

Preferred name: Bis(2-amino-1H-imidazole) sulphate
IUPAC: 1H-imidazol-2-amine;sulfuric acid
English name: 2-Aminoimidazole hemisulfate
Molecular formula: C3H7N3O4S
Molecular weight: 181.17

Names & synonyms

EINECS 215-918-9Bis(2-amino-1H-imidazole) sulphateNSC 101169RefChem:568690215-918-92-Aminoimidazole sulfate36946-29-91H-Imidazol-2-Amine SulfateImidazol-2-ylamine sulphate42383-61-91H-imidazol-2-amine; sulfuric acid1H-Imidazol-2-amine;sulfuric acid

Show more names

e hemisuL2-AminoimidazoLTIMTEC-BB SBB001015hemi(sulfuric acid)2-Aminoimidazole sul2-IMIDAZOLEAMINE SULFATE2-AMINOIMIDAZOLE SULPHATE2-Aminoimidazolium Sulfat2-Aminoimidazolium sulfate

MFCD00050811C3H7N3O4S1H-Imidazol-2-amine xsulfateCHEMBL23921151H-Imidazol-2-amine sulphate1H-Imidazol-2-amine, sulfate (1:1)EINECS 255-791-7Amino imidazole sulfate

Database identifiers

CAS: 1450-93-7、42383-61-9
PubChem CID: 135136
DTXSID: DTXSID10932469
ChEMBL: CHEMBL2392115
EC Number: 215-918-9、255-791-7

Properties

Computed structural properties

Topological polar surface area: 138 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 270 °C · 270 °C (dec.) (lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: Water (Sparingly)
form: Crystals or Crystalline Powder
color: Pale brown to brown
BRN: 4726750 · 4726750
InChI: InChI=1S/2C3H5N3.H2O4S/c2*4-3-5-1-2-6-3;1-5(2,3)4/h2*1-2H,(H3,4,5,6);(H2,1,2,3,4)
InChIKey: KUWRLKJYNASPQZ-UHFFFAOYSA-N
SMILES: S(O)(O)(=O)=O.C1(N)=NC=CN1.C1(N)=NC=CN1
CAS DataBase Reference: 1450 · 1450-93-7(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: IRRITANT, KEEP COLD
HS Code: 29332990 · 29332990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.