Home Aminos Carbamic acid, N-[trans-4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, ethanedioate (2:1)

Carbamic acid, N-[trans-4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, ethanedioate (2:1)

CAS No.:
1818847-56-1
Catalog Number:
AG002373
Molecular Formula:
C26H50N4O8
Molecular Weight:
546.6972
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Product Description
Catalog Number:
AG002373
Chemical Name:
Carbamic acid, N-[trans-4-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, ethanedioate (2:1)
CAS Number:
1818847-56-1
Molecular Formula:
C26H50N4O8
Molecular Weight:
546.6972
MDL Number:
MFCD29060175
IUPAC Name:
tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;oxalic acid
InChI:
InChI=1S/2C12H24N2O2.C2H2O4/c2*1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10;3-1(4)2(5)6/h2*9-10H,4-8,13H2,1-3H3,(H,14,15);(H,3,4)(H,5,6)
InChI Key:
CBHLFZILWBPRKT-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C.NC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.363g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
546.706g/mol
Monoisotopic Mass:
546.363g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties