Home Carboxys tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate hemioxalate

tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate hemioxalate

CAS No.:
1946010-91-8
Catalog Number:
AG00IKOJ
Molecular Formula:
C26H50N4O8
Molecular Weight:
546.6972
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Product Description
Catalog Number:
AG00IKOJ
Chemical Name:
tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate hemioxalate
CAS Number:
1946010-91-8
Molecular Formula:
C26H50N4O8
Molecular Weight:
546.6972
MDL Number:
MFCD30184855
IUPAC Name:
tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate;oxalic acid
InChI:
InChI=1S/2C12H24N2O2.C2H2O4/c2*1-9-6-7-14(8-10(9)13-5)11(15)16-12(2,3)4;3-1(4)2(5)6/h2*9-10,13H,6-8H2,1-5H3;(H,3,4)(H,5,6)/t2*9-,10+;/m00./s1
InChI Key:
GWKASSJXQHAKDZ-JBWFWECBSA-N
SMILES:
OC(=O)C(=O)O.CN[C@@H]1CN(CC[C@@H]1C)C(=O)OC(C)(C)C.CN[C@@H]1CN(CC[C@@H]1C)C(=O)OC(C)(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
4  
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:
4  
Isotope Atom Count:
0
Molecular Weight:
546.706g/mol
Monoisotopic Mass:
546.363g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties