Leucinamide
Basic information
- CAS
687-51-4- Standard SMILES
CC(C)C[C@H](N)C(N)=O- InChIKey
FORGMRSGVSYZQR-YFKPBYRVSA-N- Molecular formula
- C6H14N2O
- Average molar mass
- 130.19 g/mol
- Monoisotopic mass
- 130.11061307
Overview
L-leucinamide is an amino acid amide that is L-leucine in which the carboxy OH group is replaced by NH2. It is an amino acid amide and a L-leucine derivative.
Names & identifiers
- Preferred name
- Leucinamide
- IUPAC
- (2S)-2-amino-4-methylpentanamide
- English name
- H-Leu-NH2
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19
Names & synonyms
(S)-2-Amino-4-methylpentanamideLeucinamideL-leucine amideLEUCINE AMIDERP28A6538MDTXSID70884571RefChem:153054DTXCID00836048211-696-2687-51-4L-LEUCINAMIDEH-LEU-NH2
Show more names
Leu-NH2L-Leu-NH2LEUCINE-NH2L-Leucine amide≥ 98% (HPLC)(S)-2-amino-4-methylvaleramide
(2S)-2-amino-4-methylpentanamidePentanamide, 2-amino-4-methyl-, (2S)-Pentanamide, 2-amino-4-methyl-, (S)-H-Leu-NH HCl(2S)-2-amino-4-methyl-pentanamideMFCD00238027CHEMBL598548CHEBI:21349
Database identifiers
- CAS
687-51-4- PubChem CID
- 69640
- DTXSID
DTXSID80883555- ChEMBL
CHEMBL296425、CHEMBL598548- ChEBI
CHEBI:21349- UNII
- RP28A6538M
- EC Number
- 211-696-2
- Nikkaji
- J206.000K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 84 · 84-85 °C(Solv: benzene (71-43-2); ethanol (64-17-5)(10:1))
- Boiling point
- 250.9 · 250.9±23.0 °C(Predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- form
- solid
- pka
- 16.08 · 16.08±0.50(Predicted)
- InChI
- InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1
- InChIKey
- FORGMRSGVSYZQR-YFKPBYRVSA-N
- SMILES
- C(N)(=O)[C@@H](N)CC(C)C
- FDA UNII
- 28 A6538M · RP28A6538M
- EPA Substance Registry System
- 2 · Pentanamide, 2-amino-4-methyl-, (2S)- (687-51-4)
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Pentanamide, 2-amino-4-methyl-, (S)-
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanamide, 2-amino-4-methyl-, (2S)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An amino acid amide that is L-leucine in which the carboxy OH group is replaced by NH2.
Related reactions
68 records
Compound notes
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