N-Acetylprolinamide
Basic information
- CAS
16395-58-7- Standard SMILES
CC(=O)N1CCC[C@H]1C(N)=O- InChIKey
CXURPNUIYCJENH-LURJTMIESA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Overview
RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- N-Acetylprolinamide
- IUPAC
- (2S)-1-acetylpyrrolidine-2-carboxamide
- English name
- N-Acetyl-L-prolinamide
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
16395-58-7N-Acetyl-L-prolinamideN-Acetylprolinamide2-Pyrrolidinecarboxamide, 1-acetyl-, (S)-RefChem:162808(S)-1-Acetylpyrrolidine-2-carboxamide(2S)-1-acetylpyrrolidine-2-carboxamideMFCD00037340N-ACETYL-L-PROLINAMIDE (AC-PRO-NH2)1-AcetylprolinamideAc-Pro-NHAC-PRO-NH2
Show more names
Ac-Prn-OHAc-L-Pro-NH2AC-PROLINE-NH2AC-PYRD(2)-NH2N-ACETYL-L-PRO NH2ACETYL-L-PROLINAMIDEACETYL-L-PROLINE AMIDE1-Acetyl-L-prolinamide
SCHEMBL608859SCHEMBL752860N-alpha-Acetyl-L-proline amideSCHEMBL2687375DTXSID90936889AKOS0168431541-Acetylpyrrolidine-2-carboximidic acidAC-26494
Database identifiers
- CAS
16395-58-7- PubChem CID
- 85395
- DTXSID
DTXSID90936889- EC Number
- 881-405-7
- Nikkaji
- J400.664J
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
LogP-1.34
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 411.9 · 411.9±34.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT.
- pka
- 15.41 · 15.41±0.20(Predicted)
- CAS DataBase Reference
- 16395 · 16395-58-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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