Home Aminos 2,6-diaminohex-4-ynoic acid dihydrochloride

2,6-diaminohex-4-ynoic acid dihydrochloride

CAS No.:
65579-76-2
Catalog Number:
AG01A6KC
Molecular Formula:
C6H12Cl2N2O2
Molecular Weight:
215.0777
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Product Description
Catalog Number:
AG01A6KC
Chemical Name:
2,6-diaminohex-4-ynoic acid dihydrochloride
CAS Number:
65579-76-2
Molecular Formula:
C6H12Cl2N2O2
Molecular Weight:
215.0777
MDL Number:
MFCD05744800
IUPAC Name:
2,6-diaminohex-4-ynoic acid;dihydrochloride
InChI:
InChI=1S/C6H10N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,3-4,7-8H2,(H,9,10);2*1H
InChI Key:
IHEPKHXGAAYYQN-UHFFFAOYSA-N
SMILES:
NCC#CCC(C(=O)O)N.Cl.Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
215.074g/mol
Monoisotopic Mass:
214.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties