CAS 122556-12-1 2-Amino-3-hydroxy-2-methylpropanenitrile (HCID 14405752)

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Basic information

CAS: 122556-12-1
Standard SMILES: CC(N)(C#N)CO
InChIKey: FSRLLJVJCVKHQI-UHFFFAOYSA-N
Molecular formula: C4H8N2O
Average molar mass: 100.12 g/mol
Monoisotopic mass: 100.06366288

Names & identifiers

Preferred name: 2-Amino-3-hydroxy-2-methylpropanenitrile
IUPAC: 2-amino-3-hydroxy-2-methylpropanenitrile
English name: Propanenitrile, 2-amino-3-hydroxy-2-methyl-
Molecular formula: C4H8N2O
Molecular weight: 100.12

Names & synonyms

2-amino-3-hydroxy-2-methylpropanenitrile122556-12-1DTXSID70559934RefChem:255372DTXCID80510713Propanenitrile, 2-amino-3-hydroxy-2-methyl-2-amino-2-hydroxymethylpropionitrile2-Amino-3-hydroxy-2-methylpropanenitrile; 2-Amino-3-hydroxy-2-methyl-propanenitrile;SCHEMBL534716FSRLLJVJCVKHQI-UHFFFAOYSA-N2-amino-2-hydroxymethylproprionitrileZB0589

Show more names

2-Amino-2-hvdroxymethylproprionitrileAKOS0063427592-amino-3-hydroxy-2-methyl-propionitrile2-amino-3-hydroxy-2-methyl-propanenitrileCS-0091322D75095EN300-210136

Database identifiers

CAS: 122556-12-1
PubChem CID: 14405752
DTXSID: DTXSID70559934

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 104

Physicochemical properties

solubility: soluble in Methanol
form: Solid
color: White

Chemistry & industry

Applications · 1 item

Uses2-Amino-2-hydroxymethylpropionitrile is an intermediate in synthesizing rac-Monepantel Sulfone (M515810), which is a recently discovered anthelmitic used in the treatment of parasitic nematodes via stun or kill without damaging the host entity.