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(S) -2,6-Diaminohexanamide dihydrochloride

CAT: 0127-OR1069652-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1069652-01Size:100 mg
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CAS Number
51127-08-3
MDL Number
MFCD00058287
Purity
97%
Smiles
N[C@@H](CCCCN)C(N)=O.[H]Cl.[H]Cl

Chemical Information

(2S)-2,6-diaminohexanamide dihydrochloride
CAS Number51127-08-3
PubChem CID20760365
IUPAC Name(2S)-2,6-diaminohexanamide;dihydrochloride
Molecular FormulaC6H17Cl2N3O
Molecular Weight218.12
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity105
SMILES
C(CCN)C[C@@H](C(=O)N)N.Cl.Cl
InChI
InChI=1S/C6H15N3O.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H2,9,10);2*1H/t5-;;/m0../s1
InChIKey
AIYVJLPYZQDCKV-XRIGFGBMSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2,6-diaminohexanamide dihydrochloride
CAS: 51127-08-3
CID: 20760365
Formula: C6H17Cl2N3O
MW: 218.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.12
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass217.0748676
Monoisotopic Mass217.0748676
Topological Polar Surface Area95.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes