2-[(N-methyl-N-n-octadecylamino)methyl]-2-propenenitrile propionic acid salt

HCID 20535985
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Basic information

Standard SMILES
C=C(C#N)CN(C)CCCCCCCCCCCCCCCCCC.CCC(=O)O
InChIKey
LRISODDKGJGMBQ-UHFFFAOYSA-N
Molecular formula
C26H50N2O2
Average molar mass
422.7 g/mol
Monoisotopic mass
422.38722884

Names & identifiers

Preferred name
2-[(N-methyl-N-n-octadecylamino)methyl]-2-propenenitrile propionic acid salt
IUPAC
2-[[methyl(octadecyl)amino]methyl]prop-2-enenitrile;propanoic acid

Names & synonyms

SCHEMBL11292403LRISODDKGJGMBQ-UHFFFAOYSA-N2-[(N-methyl-N-n-octadecylamino)methyl]-2-propenenitrile propionic acid salt

Database identifiers

PubChem CID
20535985

Properties

Computed structural properties

Topological polar surface area
64.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
20
Heavy atoms
30

Related reactions

1 records
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Compound notes

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