Basic information
- CAS
18341-31-6- Standard SMILES
C#CCN(C)C(C)=O- InChIKey
VYAMKMQYVSEZSB-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- Acetamide, N-methyl-N-[2-propynyl]-
- IUPAC
- N-methyl-N-prop-2-ynylacetamide
- English name
- N-Methyl-N-(2-propynyl)acetamide
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
18341-31-6N-Methyl-N-(2-propynyl)acetamideACETAMIDE, N-METHYL-N-(2-PROPYNYL)-N-methyl-N-prop-2-ynylacetamideAcetamide, N-methyl-N-2-propyn-1-yl-N-(2-Propynyl)-N-methyl acetamideDKC7DDW6RZNSC 168438BRN 2346727NSC-168438DTXSID00171421Acetamide, N-methyl-N-[2-propynyl]-
Show more names
N-METHYL-N-2-PROPYN-1-YLACETAMIDERefChem:108858DTXCID6093912VYAMKMQYVSEZSB-UHFFFAOYSA-NN-methyl-N-(prop-2-yn-1-yl)acetamideMFCD01671037N-methyl-N-prop-2-ynyl-acetamideN-methyl-N-propargylacetamide
Database identifiers
- CAS
18341-31-6- PubChem CID
- 29033
- DTXSID
DTXSID00171421- UNII
- DKC7DDW6RZ
- EC Number
- 899-202-7
- Nikkaji
- J54.109E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 53 °C · 53 °C(Press: 0.8 Torr)
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.70(Predicted)
- FDA UNII
- 7 DDW6RZ · DKC7DDW6RZ
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers6 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
8 records
Compound notes
Loading…