Home Aminos Ethanone, 1-[4-(aminomethyl)-1-piperidinyl]-, ethanedioate (2:1)

Ethanone, 1-[4-(aminomethyl)-1-piperidinyl]-, ethanedioate (2:1)

CAS No.:
2007910-53-2
Catalog Number:
AG002CYY
Molecular Formula:
C18H34N4O6
Molecular Weight:
402.4858
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Product Description
Catalog Number:
AG002CYY
Chemical Name:
Ethanone, 1-[4-(aminomethyl)-1-piperidinyl]-, ethanedioate (2:1)
CAS Number:
2007910-53-2
Molecular Formula:
C18H34N4O6
Molecular Weight:
402.4858
MDL Number:
MFCD30471651
IUPAC Name:
1-[4-(aminomethyl)piperidin-1-yl]ethanone;oxalic acid
InChI:
InChI=1S/2C8H16N2O.C2H2O4/c2*1-7(11)10-4-2-8(6-9)3-5-10;3-1(4)2(5)6/h2*8H,2-6,9H2,1H3;(H,3,4)(H,5,6)
InChI Key:
FGNNJFSOSNSHRD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC1CCN(CC1)C(=O)C.NCC1CCN(CC1)C(=O)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.248g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
402.492g/mol
Monoisotopic Mass:
402.248g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties