Octadecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)
Basic information
- CAS
13282-70-7- Standard SMILES
CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C- InChIKey
PKRDZHPWYDJXPO-UHFFFAOYSA-N- Molecular formula
- C23H48N2O.C2H4O2
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.39779352
Names & identifiers
- Preferred name
- Octadecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)
- IUPAC
- acetic acid;N-[3-(dimethylamino)propyl]octadecanamide
- English name
- N-[3-(dimethylamino)propyl]stearamide monoacetate
- Molecular formula
- C25H52N2O3
- Molecular weight
- 428.69198
Names & synonyms
N-[3-(dimethylamino)propyl]stearamide monoacetateN-(3-(Dimethylamino)propyl)stearamide monoacetateOctadecanamide, N-[3-(dimethylamino)propyl]-, monoacetateEINECS 236-291-8DTXSID6065397Octadecanamide, N-(3-(dimethylamino)propyl)-, monoacetateOctadecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)Octadecanamide, N-[3-(dimethylamino)propyl]-, acetate (1:1)RefChem:167593DTXCID3034115236-291-813282-70-7
Show more names
acetic acid,N-[3-(dimethylamino)propyl]octadecanamide
acetic acid;N-[3-(dimethylamino)propyl]octadecanamideSCHEMBL9843924PKRDZHPWYDJXPO-UHFFFAOYSA-NDB-255550NS00085165Acetic acid--N-[3-(dimethylamino)propyl]octadecanamide (1/1)
Database identifiers
- CAS
13282-70-7- PubChem CID
- 83300
- DTXSID
DTXSID6065397- EC Number
- 236-291-8
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- EPA Substance Registry System
- 3 · Octadecanamide, N-[3-(dimethylamino)propyl]-, monoacetate (13282-70-7)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H302-H410-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Danger
H302 (42.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octadecanamide, N-[3-(dimethylamino)propyl]-, monoacetate
REACH registered substance: N-[3-(dimethylamino)propyl]stearamide monoacetate (EC: 236-291-8)
Hazard Classes and CategoriesAcute Tox. 4 (42.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- Hazard statements
- H317-H302-H410-H318
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanamide, N-[3-(dimethylamino)propyl]-, acetate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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