chempirical

Lysine monohydrate

C6H16N2O3CAS 39665-12-8164.20 g/mol

Open in Covalent MOL file
H2NNH2OOHH2O
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H16N2O3
Molar mass
164.20 g/mol
Exact mass
164.1161 Da
logP
-1.30Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
39665-12-8
SMILES
NCCCC[C@H](N)C(=O)O.O
InChIKey
HZRUTVAFDWTKGD-JEDNCBNOSA-N
InChI
InChI=1S/C6H14N2O2.H2O/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H2/t5-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • L-Lysine, hydrate (1:1)
  • L-Lysine, monohydrate

Work with Lysine monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lysine70-54-2Anhydrous, stereo not defined Polylysine25104-18-1Anhydrous L-Lysine56-87-1Anhydrous D-Lysine923-27-3Anhydrous, enantiomer Aspisol62952-06-1Salt, stereo not defined L-Lysine monohydrochloride657-27-2Salt Ibuprofen lysine57469-77-9Salt Bendazac L-lysine salt81919-14-4Salt Lysine clonixinate55837-30-4Salt L-Lysine-L-aspartate27348-32-9Salt Lysine hydrochloride10098-89-2Salt DL-Lysine hydrochloride70-53-1Salt, stereo not defined

Similar compounds

Ornithine70-26-882 % similar DL-ornithine hydrochloride1069-31-474 % similar (R)-Ornithine hydrochloride16682-12-574 % similar Ornithine hydrochloride3184-13-274 % similar Ornithine dihydrochloride6211-16-174 % similar L-2,4-Diaminobutyric acid1758-80-169 % similar D-2,4-Diaminobutyric acid26908-94-169 % similar Diaminopimelic acid583-93-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook