Home Carboxys 1,4-diaminocyclohexane-1-carboxylic acid dihydrochloride

1,4-diaminocyclohexane-1-carboxylic acid dihydrochloride

CAS No.:
1423032-43-2
Catalog Number:
AG01A1P1
Molecular Formula:
C7H16Cl2N2O2
Molecular Weight:
231.1201
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Product Description
Catalog Number:
AG01A1P1
Chemical Name:
1,4-diaminocyclohexane-1-carboxylic acid dihydrochloride
CAS Number:
1423032-43-2
Molecular Formula:
C7H16Cl2N2O2
Molecular Weight:
231.1201
MDL Number:
MFCD22565885
IUPAC Name:
1,4-diaminocyclohexane-1-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C7H14N2O2.2ClH/c8-5-1-3-7(9,4-2-5)6(10)11;;/h5H,1-4,8-9H2,(H,10,11);2*1H
InChI Key:
NFXKUNFMUUKFDP-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)(N)C(=O)O.Cl.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
231.117g/mol
Monoisotopic Mass:
230.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties