Home Other Building Blocks azepan-3-ylmethanamine, oxalic acid

azepan-3-ylmethanamine, oxalic acid

CAS No.:
1803594-24-2
Catalog Number:
AG01BC67
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
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Product Description
Catalog Number:
AG01BC67
Chemical Name:
azepan-3-ylmethanamine, oxalic acid
CAS Number:
1803594-24-2
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
MDL Number:
MFCD28714722
IUPAC Name:
azepan-3-ylmethanamine;oxalic acid
InChI:
InChI=1S/C7H16N2.C2H2O4/c8-5-7-3-1-2-4-9-6-7;3-1(4)2(5)6/h7,9H,1-6,8H2;(H,3,4)(H,5,6)
InChI Key:
SFUFMWHEYCHFEA-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC1CCCCNC1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties