N-Dodecyl-N,N-(dimethylammonio)butyrate
Basic information
- CAS
15163-30-1- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-]- InChIKey
ZFVNBVQBIZJUEY-UHFFFAOYSA-N- Molecular formula
- C18H37NO2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.28242942
Names & identifiers
- Preferred name
- N-Dodecyl-N,N-(dimethylammonio)butyrate
- IUPAC
- 4-[dodecyl(dimethyl)azaniumyl]butanoate
- English name
- DDMAB
- Molecular formula
- C18H37NO2
- Molecular weight
- 299.49
Names & synonyms
N-Dodecyl-N,N-(dimethylammonio)butyrateRefChem:829798623-369-5DDMAB15163-30-14-[dodecyl(dimethyl)azaniumyl]butanoateSCHEMBL355297orb2939419DTXSID50468232DDMAB, >=94%TYD-01182HY-W250187
Show more names
DDMAB - CAS 15163-30-1 - Calbiochem[252000]
4-[Dodecyldi(methyl)azaniumyl]butanoate4-(DODECYLDIMETHYLAMMONIO)BUTANOATECS-0256382N-dodecyl-N,N-dimethyl-3-ammonio-1-propanecarboxylate
Database identifiers
- CAS
15163-30-1- PubChem CID
- 11536737
- DTXSID
DTXSID50468232- EC Number
- 623-369-5
- Nikkaji
- J630.249A
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- storage temp.
- 15 C · +15C to +30C
- solubility
- 1 mg/mL · water: 1 mg/mL
- form
- crystalline solid
- color
- white
- Water Solubility
- 1 mg/mL · water: 1mg/mL
- InChI
- 1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3
- InChIKey
- ZFVNBVQBIZJUEY-UHFFFAOYSA-N
- SMILES
- [N+](CCCCCCCCCCCC)(CCCC(=O)[O-])(C)C
- UNSPSC Code
- 12161902 · 12161902
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesDDMAB is a water-soluble zwitterionic detergent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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