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2,4-Diaminobutyric acid
PHCD compound ID : 5044
Chemical Names :
2,4-Diaminobutyric acid
Molecular Formula : C4H10N2O2
Molecular Weight : 118.074228
More Details :
Names & Synonyms: 2,4-diaminobutanoic acid , 2,4-bis(azanyl)butanoic acid , 2,4-diaminobutyric acid
Smiles: N[C@H](C(=O)O)CCN
InChi : InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChi Key : InChIKey=OGNSCSPNOLGXSM-VKHMYHEASA-N
PubChem ID : 470
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.626339
Hydrogen bond donor count : 3 Electric dipole moment : 4.741
XLogP : -3.665 VDW volume : 114.677912
Molecular weight : 118.074228 HOMO-LUMO gap : 10.457000
Herb list :
Refrences & Litretures:
  
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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