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dodecyl-N,N-dimethylaminoacetate

HCID 129378
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
121150-43-4
Standard SMILES
CCCCCCCCCCCCOC(=O)CN(C)C
InChIKey
IHSPMDXQWYKHOA-UHFFFAOYSA-N
Molecular formula
C16H33NO2
Average molar mass
271.44 g/mol
Monoisotopic mass
271.2511293

Overview

enhances facilitate transport of basic & acidic drugs insolutions through snakeskin

Names & identifiers

Preferred name
dodecyl-N,N-dimethylaminoacetate
IUPAC
dodecyl 2-(dimethylamino)acetate
English name
dodecyl-N,N-dimethylaminoacetate
Molecular formula
C16H33NO2
Molecular weight
271.44

Names & synonyms

DDAA121150-43-4Dodecyl-N,N-dimethylaminoacetateRefChem:135510dodecyl 2-(dimethylamino)acetateDodecyl dimethylglycinateGlycine, N,N-dimethyl-,dodecyl esterDodecyl N,N-dimethylglycinateSCHEMBL465967dodecyl n,n-dimethylamino acetateDTXSID40923704IHSPMDXQWYKHOA-UHFFFAOYSA-N
Show more names
N,N-Dimethylglycine dodecyl esterN,N-dimethylamino-acetate 1-dodecyl ester
dodecyl (N,N-dimethylamino)acetateGlycine, N,N-dimethyl-, dodecyl esterN,N-dimethylamino-acetate-1-dodecyl ester

Database identifiers

CAS
121150-43-4
PubChem CID
129378
DTXSID
DTXSID40923704
Nikkaji
J432.032H

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
19
Formal charge
0
Complexity
205

Physicochemical properties

Boiling point
336.6 · 336.6±25.0 °C(Predicted)
Density
0.894 · 0.894±0.06 g/cm3(Predicted)
pka
7.19 · 7.19±0.28(Predicted)

Chemistry & industry

Suppliers1 total

Achemica[email protected]

Related reactions

5 records
New reaction record
HRID 685144 reaction equation
HRID 685144As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1090725 reaction equation
HRID 1090725As productuspto-grants-1992_01
HRID 1111424 reaction equation
HRID 1111424As productuspto-grants-1990_12
HRID 1208227 reaction equation
HRID 1208227As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2096033 reaction equation
HRID 2096033As productuspto-grants-2013_05

Compound notes

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