Home Carboxys tert-butyl (1R,4R)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride, trans

tert-butyl (1R,4R)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride, trans

CAS No.:
38698-16-7
Catalog Number:
AG01DWE9
Molecular Formula:
C12H24ClNO2
Molecular Weight:
249.7775
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Product Description
Catalog Number:
AG01DWE9
Chemical Name:
tert-butyl (1R,4R)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride, trans
CAS Number:
38698-16-7
Molecular Formula:
C12H24ClNO2
Molecular Weight:
249.7775
MDL Number:
MFCD31629544
IUPAC Name:
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H23NO2.ClH/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10;/h9-10H,4-8,13H2,1-3H3;1H
InChI Key:
VMJOMRRCIRCARV-UHFFFAOYSA-N
SMILES:
NC[C@@H]1CC[C@H](CC1)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.15g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.779g/mol
Monoisotopic Mass:
249.15g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties