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3-Dimethylaminopropyl Laurate

HCID 3613080
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCC(=O)OCCCN(C)C
InChIKey
XEPOUYIIPHGFKJ-UHFFFAOYSA-N
Molecular formula
C17H35NO2
Average molar mass
285.5 g/mol

Names & identifiers

Preferred name
3-Dimethylaminopropyl Laurate
IUPAC
3-(dimethylamino)propyl dodecanoate

Names & synonyms

3-Dimethylaminopropyl LaurateSCHEMBL8396453gamma-Dimethylaminopropyl laurateXEPOUYIIPHGFKJ-UHFFFAOYSA-N(CH3)2N(CH2)3OCO(CH2)10CH3

Database identifiers

PubChem CID
3613080

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
15
Heavy atoms
20
Formal charge
0
Complexity
217

Related reactions

4 records
New reaction record
HRID 223270 reaction equation
HRID 223270As productuspto-grants-1982_10
HRID 957089 reaction equation
HRID 957089As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1048638 reaction equation
HRID 1048638As productuspto-grants-2016_07
HRID 2285676 reaction equation
HRID 2285676As productuspto-grants-1982_04

Compound notes

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