Home Carboxys 3-amino-4-methylcyclohexanecarboxylic acid

3-amino-4-methylcyclohexanecarboxylic acid

CAS No.:
1379173-95-1
Catalog Number:
AG01BTK1
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
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Product Description
Catalog Number:
AG01BTK1
Chemical Name:
3-amino-4-methylcyclohexanecarboxylic acid
CAS Number:
1379173-95-1
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD20651050
IUPAC Name:
3-amino-4-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H15NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h5-7H,2-4,9H2,1H3,(H,10,11)
InChI Key:
KUPBCZPXBMTAOQ-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1N)C(=O)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties