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N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;(E)-hexadec-8-enoic acid

HCID 6441019
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Basic information

CAS
68511-92-2
Standard SMILES
CCCCCCC/C=C/CCCCCCC(=O)O.CCOS(=O)(=O)OCC.NCCNCCN
InChIKey
QERIURZHKLVFJY-YEUQMBKVSA-N
Molecular formula
C24H53N3O6S
Average molar mass
511.8 g/mol
Monoisotopic mass
511.36550759

Names & identifiers

Preferred name
N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;(E)-hexadec-8-enoic acid
IUPAC
N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;(E)-hexadec-8-enoic acid

Names & synonyms

QERIURZHKLVFJY-YEUQMBKVSA-N

Database identifiers

CAS
68511-92-2
PubChem CID
6441019

Properties

Computed structural properties

Topological polar surface area
162 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
21
Heavy atoms
34
Formal charge
0
Complexity
366

Related reactions

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Compound notes

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