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13725-03-6 | Cyclohexanecarboxylic acid, 1-amino-3,3,5,5-tetramethyl-
CAS No: 13725-03-6 Catalog No: AG001300 MDL No:
Product Description
Catalog Number:
AG001300
Chemical Name:
Cyclohexanecarboxylic acid, 1-amino-3,3,5,5-tetramethyl-
CAS Number:
13725-03-6
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
1-amino-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H21NO2/c1-9(2)5-10(3,4)7-11(12,6-9)8(13)14/h5-7,12H2,1-4H3,(H,13,14)
InChI Key:
QCURZCYGNMLPQB-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CC(C)(C)CC(C1)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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