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1193388-39-4 | 8-Azabicyclo[3.2.1]octane-3-methanamine, 8-methyl-, hydrochloride (1:2)
CAS No: 1193388-39-4 Catalog No: AG000IMQ MDL No:MFCD19442657
Product Description
Catalog Number:
AG000IMQ
Chemical Name:
8-Azabicyclo[3.2.1]octane-3-methanamine, 8-methyl-, hydrochloride (1:2)
CAS Number:
1193388-39-4
Molecular Formula:
C9H20Cl2N2
Molecular Weight:
227.1745
MDL Number:
MFCD19442657
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C9H18N2.2ClH/c1-11-8-2-3-9(11)5-7(4-8)6-10;;/h7-9H,2-6,10H2,1H3;2*1H
InChI Key:
JYVBDRUVNDRLHM-UHFFFAOYSA-N
SMILES:
NCC1CC2CCC(C1)N2C.Cl.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.173g/mol
Monoisotopic Mass:
226.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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