Basic information
- CAS
22890-14-8- Standard SMILES
CC(=O)O.CCCCCCCCCCCC(=O)NCCCN(C)C- InChIKey
ITEOMQZUDMOKMS-UHFFFAOYSA-N- Molecular formula
- C19H40N2O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.30389314
Names & identifiers
- Preferred name
- Dodecanamide, N-[3-(dimethylamino)propyl]-, acetate (1:1)
- IUPAC
- acetic acid;N-[3-(dimethylamino)propyl]dodecanamide
Names & synonyms
UNII-5DK1K206XS5DK1K206XSN-(3-(Dimethylamino)propyl)dodecanamide monoacetateEINECS 245-307-2Dodecanamide, N-(3-(dimethylamino)propyl)-, monoacetateDodecanamide, N-[3-(dimethylamino)propyl]-, monoacetateDodecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)DTXSID4066836EC 245-307-2N-[3-(dimethylamino)propyl]dodecanamide monoacetateDodecanamide, N-[3-(dimethylamino)propyl]-, acetate (1:1)RefChem:135412
Show more names
DTXCID003676822890-14-8SCHEMBL3329756ITEOMQZUDMOKMS-UHFFFAOYSA-NNS00083017Q27261885acetate (1:1)N-(3-(dimethylamino)propyl)-dodecanamideAcetic acid--N-[3-(dimethylamino)propyl]dodecanamide (1/1)
Database identifiers
- CAS
22890-14-8- PubChem CID
- 89891
- DTXSID
DTXSID4066836- UNII
- 5DK1K206XS
- EC Number
- 245-307-2
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 248
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-[3-(dimethylamino)propyl]dodecanamide monoacetate (EC: 245-307-2)
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanamide, N-[3-(dimethylamino)propyl]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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