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87168-40-9 | (8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL) 3-DIMETHYLAMINOPROPANOATE DIHYD ROCHLORIDE
CAS No: 87168-40-9 Catalog No: AG004T9M MDL No:
Product Description
Catalog Number:
AG004T9M
Chemical Name:
(8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL) 3-DIMETHYLAMINOPROPANOATE DIHYD ROCHLORIDE
CAS Number:
87168-40-9
Molecular Formula:
C13H26Cl2N2O2
Molecular Weight:
313.2637
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride
InChI:
InChI=1S/C13H24N2O2.2ClH/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3;;/h10-12H,4-9H2,1-3H3;2*1H
InChI Key:
NSAFZAYQJDIELC-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)OC1CC2CCC(C1)N2C)C.Cl.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.263g/mol
Monoisotopic Mass:
312.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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