Home Carboxys rac-(1r,4r)-4-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid, trans

rac-(1r,4r)-4-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid, trans

CAS No.:
2136119-50-9
Catalog Number:
AG01ELIT
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
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Product Description
Catalog Number:
AG01ELIT
Chemical Name:
rac-(1r,4r)-4-[(pyrazin-2-yl)amino]cyclohexane-1-carboxylic acid, trans
CAS Number:
2136119-50-9
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD31567057
IUPAC Name:
4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H15N3O2/c15-11(16)8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h5-9H,1-4H2,(H,13,14)(H,15,16)
InChI Key:
ANUPNVJQXDMSJJ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)Nc1nccnc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties