Leucinamide

HCID 69640CAS 687-51-4

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Basic information

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

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-methylpentanamideL-leucine amideLEUCINE AMIDELeucinamideRP28A6538MDTXSID70884571RefChem:153054DTXCID00836048211-696-2687-51-4L-LEUCINAMIDEH-LEU-NH2

Show more names

Leu-NH2LEUCINE-NH2L-Leucine amide≥ 98% (HPLC)(S)-2-amino-4-methylvaleramide

(2S)-2-amino-4-methylpentanamidePentanamide, 2-amino-4-methyl-, (2S)-MFCD00238027Pentanamide, 2-amino-4-methyl-, (S)-CHEMBL598548(2S)-2-amino-4-methyl-pentanamideL-Leu-NH2H-Leu-NH

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 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 101

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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids