Aminoacetonitrile bisulfate

C₂H₆N₂O₄SCAS 151-63-3154.14 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₂H₆N₂O₄S
Molar mass: 154.14 g/mol
Exact mass: 154.0048 Da
Melting point: 101 °C
logP: -1.18Crippen estimate
Polar surface area: 124.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

151-63-3

SMILES

N#CCN.O=S(=O)(O)O

InChIKey

GTGIXCPOLMWQTC-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Acetonitrile, 2-amino-, sulfate (1:1)
Acetonitrile, amino-, sulfate (1:1)
Aminoacetonitrile hydrogen sulfate
Aminoacetonitrile hydrosulfate
NSC 128389
Glycinonitrile sulfate
2-Aminoacetonitrile sulfate

Work with Aminoacetonitrile bisulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Aminoacetonitrile540-61-4Free base Aminoacetonitrile hydrochloride6011-14-9Salt Glycinonitrile sulfate (2:1)5466-22-8

Similar compounds

Hydrazine sulfate10034-93-243 % similar Sulfuric acid7664-93-943 % similar Cystamine sulfate16214-16-741 % similar Hydroxylammonium sulfate10039-54-040 % similar 2,2-Dimethyl-1-propylamine sulphate68306-49-040 % similar Rhodium sulfate10489-46-038 % similar Palladium sulfate (PdSO4)13566-03-538 % similar Zirconium(IV) sulfate14644-61-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook