Home Carboxys 3-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers

3-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers

CAS No.:
2138562-51-1
Catalog Number:
AG01ELMC
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
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Product Description
Catalog Number:
AG01ELMC
Chemical Name:
3-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid hydrochloride, Mixture of diastereomers
CAS Number:
2138562-51-1
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
MDL Number:
MFCD31559253
IUPAC Name:
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H15N3O2.ClH/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10;/h4-5,7-9H,1-3,6H2,(H,13,14)(H,15,16);1H
InChI Key:
NXKSBMUCQYSLDY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC(C1)Nc1cnccn1.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.718g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties