N-Acetylalaninamide
Basic information
- CAS
15962-47-7- Standard SMILES
CC(=O)NC(=O)[C@H](C)N- InChIKey
JYSQHZCNOOQLII-VKHMYHEASA-N- Molecular formula
- C5H10N2O2
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.07422757
Overview
structure given in first source; RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- N-Acetylalaninamide
- IUPAC
- (2S)-N-acetyl-2-aminopropanamide
- English name
- Ac-Ala-NH2
- Molecular formula
- C5H10N2O2
- Molecular weight
- 130.15
Names & synonyms
N-AcetylalaninamideN-(Acetyl)alaninamide2-(Acetylamino)propanamideRefChem:162673(2S)-N-acetyl-2-aminopropanamideSCHEMBL20717738NSC 186893Propanamide, 2-(acetylamino)-, (S)-Nsc186893Ac-Ala-NH2Ac-L-Ala-NH2N-Ac-Ala-NH2
Show more names
Ac-Ala-NH2, BRAC-ALANINE-NH2N-Ac-L-Ala-NH2Ac-beta-Ala-NH2N-ACETYL-L-ALA NH2
Database identifiers
- CAS
15962-47-7- PubChem CID
- 85212
- Nikkaji
- J441.059I
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 240.83 °C · 240.83°C (rough estimate)
- Density
- 1.2268 · 1.2268 (rough estimate)
- refractive index
- 1.4954 · 1.4954 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 14.95 · 14.95±0.46(Predicted)
- CAS DataBase Reference
- 15962 · 15962-47-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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