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880495-36-3 | Cyclopentanamine, N-methyl-, sulfate (1:1)
CAS No: 880495-36-3 Catalog No: AG004FP3 MDL No:
Product Description
Catalog Number:
AG004FP3
Chemical Name:
Cyclopentanamine, N-methyl-, sulfate (1:1)
CAS Number:
880495-36-3
Molecular Formula:
C6H15NO4S
Molecular Weight:
197.2526
IUPAC Name:
N-methylcyclopentanamine;sulfuric acid
InChI:
InChI=1S/C6H13N.H2O4S/c1-7-6-4-2-3-5-6;1-5(2,3)4/h6-7H,2-5H2,1H3;(H2,1,2,3,4)
InChI Key:
OTJAQNZOUMAUPA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CNC1CCCC1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.249g/mol
Monoisotopic Mass:
197.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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