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683-10-3 molecular structure
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2-(dodecyldimethylazaniumyl)acetate

ChemBase ID: 5272
Molecular Formular: C16H33NO2
Molecular Mass: 271.43872
Monoisotopic Mass: 271.2511293
SMILES and InChIs

SMILES:
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
Canonical SMILES:
CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C
InChI:
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
InChIKey:
DVEKCXOJTLDBFE-UHFFFAOYSA-N

Cite this record

CBID:5272 http://www.chembase.cn/molecule-5272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dodecyldimethylazaniumyl)acetate
IUPAC Traditional name
2-(dodecyldimethylaminio)acetate
2-(dodecyldimethylammonio)acetate
Synonyms
N-DODECYL-N,N-DIMETHYLGLYCINATE
(Dodecyldimethylammonio)acetate
N-Dodecyl-N,N-dimethylglycine
Laurylbetaine
Lauryldimethylaminoacetic acid betaine
Lauryldimethylbetaine
(Lauryldimethylammonio)acetate
N,N-Dimethyl-N-dodecylglycine betaine
N-(Alkyl C10-C16)-N,N-dimethylglycine betaine
N-(Carboxymethyl)-N,N-dimethyl-1-dodecanaminium Inner Salt
AM 301
Adeka Amphote AB 35L
Ambiteric D 40
Amogen S
Amphitol 20BS
Anfoterico LB
Anon BL
Anon BL-SF
BS 12 (betaine surfactant)
Betainelauryldimethylaminoacetate
Culveram CDG
DDN
Desimex i
Dimethyldodecylbetaine
Dimethyllaurylbetaine
Dodecyldimethylbetaine
Genagen LAB
Lauryl-N-methylsarcosine
Lauryldimethylaminoacetate betaine
Lonzaine 12S
Makam LB 35
N,N-Dimethyl-N-laurylglycine Inner Salt
N-(Carboxymethyl)-N-lauryldimethylammonium Hydroxide Inner Salt
N-Lauryl-N,N-dimethyl-a-betaine
Nikkol AM 301
Nissan Anon BL-SF
Obazoline LB-SF
Product DDN
Rewoteric AM-DML 35
Swanol AM 301
Varion CDG-K
Lauryl Betaine
2-(dodecyldimethylaminiumyl)acetate
EMPIGEN® BB detergent
2-(Dodecyldimethylammonio)acetate
CAS Number
683-10-3
66455-29-6
EC Number
266-368-1
211-669-5
MDL Number
MFCD00084742
Beilstein Number
3670807
PubChem SID
160968701
24868642
99444102
PubChem CID
4292413

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.61925  H Acceptors
H Donor LogD (pH = 5.5) 1.1563227 
LogD (pH = 7.4) 1.156791  Log P 0.3862645 
Molar Refractivity 103.505 cm3 Polarizability 32.063915 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five true 
Log P 1.17  LOG S -6.91 
Solubility (Water) 4.03e-05 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.04 g/mL at 20 °C expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.20 expand Show data source
λ: 280 nm Amax: ≤0.15 expand Show data source
λ: 417 nm Amax: 0.055 expand Show data source
λ: 441 nm Amax: 0.037 expand Show data source
Hydrophobicity(logP)
-0.864 expand Show data source
Critical Micelle Concentration
1.6-2.1 mM(20-25°C) expand Show data source
Conductivity
≤10 μS/cm (1% (w/v) in water) expand Show data source
RTECS
JR2115000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Risk Statements
21-25 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
36/37-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H301-H312 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95% (HPLC) expand Show data source
95% expand Show data source
95+% expand Show data source
Concentration
~35% active substance in H2O expand Show data source
Certificate of Analysis
Download expand Show data source
Description
zwitterionic expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Mol. Weight
Mr ~279 expand Show data source
λ
1 % (w/v) in H2O expand Show data source
neat expand Show data source
Linear Formula
CH3(CH2)8-14CH2N+(CH3)2CH2COO- expand Show data source
Empirical Formula (Hill Notation)
C16H33NO2 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank TRC TRC Sigma Aldrich Sigma Aldrich
DrugBank - DB07631 external link
Drug information: experimental
Toronto Research Chemicals - L178750 external link
Lauryl Betaine is an amphoteric surfactant derived from N-dodecyl-N,N-dialkanol amine with protein denaturing potency. Lauryl Betaine is mainly used in shampoo, personal hygiene products and oil field chemicals.
Sigma Aldrich - 45165 external link
Application
Zwitterionic detergent (an amine betaine), useful for solubilization of membrane proteins. Used for preparing viral antigens by removing kinases1.
Legal Information
EMPIGEN is a registered trademark of Albright & Wilson UK Ltd.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kimura, Y. et al.: J. SCCJ, 29, 106 (1995)
  • • Qin, C. et al.: GUang. Huag., 34, 30 (1995)
  • • Peng, Z. et al.: Riy. HUax. Gong., 37, 135 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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