ChemicalBook--->CAS DataBase List--->40469-85-0

40469-85-0

40469-85-0 Structure

40469-85-0 Structure
IdentificationBack Directory
[Name]

(S)-HOMO-BETA-VALINE
[CAS]

40469-85-0
[Synonyms]

L-β-Hoval-OH
L-Β-HOVAL-OH
(S)-HOMO-BETA-VALINE
REF DUPL: (S)-beta-homovaline
3-Amino-4-Mthylpentanoic acid
Pentanoic acid, 3-amino-4-methyl-, (3S)-
[Molecular Formula]

C6H13NO2
[MDL Number]

MFCD01076233
[MOL File]

40469-85-0.mol
[Molecular Weight]

131.17
Chemical PropertiesBack Directory
[Melting point ]

202-210℃ (decomposition)
[Boiling point ]

232.0±23.0 °C(Predicted)
[density ]

1.035±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.81±0.10(Predicted)
[InChI]

InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
[InChIKey]

GLUJNGJDHCTUJY-YFKPBYRVSA-N
[SMILES]

C(O)(=O)C[C@H](N)C(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Definition]

ChEBI: (3S)-beta-leucine is the (3S)-beta-isomer of leucine. It is an enantiomer of a (3R)-beta-leucine.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-HOMO-BETA-VALINE (40469-85-0)1HNMR
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