Basic information
- CAS
5440-33-5- Standard SMILES
CC(=O)NC(CCC(C)C)C(=O)O- InChIKey
DVFFMAIDIFRYDO-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- 2-Acetamido-5-methylhexanoic acid
- IUPAC
- 2-acetamido-5-methylhexanoic acid
- English name
- 2-acetamido-5-methylhexanoic acid
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
2-acetamido-5-methylhexanoic acid5440-33-5Norleucine, N-acetyl-5-methyl-N-Acetyl-5-methylnorleucineSCHEMBL112402822-acetamido-5-methylhexanoicacidDTXSID10398945FAA44033NSC20149NSC-20149AKOS013465196AT54000
Show more names
EN300-301377F2147-6509Z1201004109
Database identifiers
- CAS
5440-33-5- PubChem CID
- 4065232
- DTXSID
DTXSID10398945
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 378.8 · 378.8±25.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…