Home Other Building Blocks 1,5-Naphthyridine, decahydro-1-methyl-, ethanedioate (1:1), (4aR,8aR)-rel-

1,5-Naphthyridine, decahydro-1-methyl-, ethanedioate (1:1), (4aR,8aR)-rel-

CAS No.:
2007919-59-5
Catalog Number:
AG002CZG
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
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Product Description
Catalog Number:
AG002CZG
Chemical Name:
1,5-Naphthyridine, decahydro-1-methyl-, ethanedioate (1:1), (4aR,8aR)-rel-
CAS Number:
2007919-59-5
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
MDL Number:
MFCD30476050
IUPAC Name:
(4aR,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;oxalic acid
InChI:
InChI=1S/C9H18N2.C2H2O4/c1-11-7-3-4-8-9(11)5-2-6-10-8;3-1(4)2(5)6/h8-10H,2-7H2,1H3;(H,3,4)(H,5,6)/t8-,9-;/m1./s1
InChI Key:
XJNDMCTURKRDRZ-VTLYIQCISA-N
SMILES:
OC(=O)C(=O)O.CN1CCC[C@@H]2[C@H]1CCCN2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties