Home Carboxys Methyl 4-(aminomethyl)bicyclo[2.2.2]octane-1-carboxylate

Methyl 4-(aminomethyl)bicyclo[2.2.2]octane-1-carboxylate

CAS No.:
54202-09-4
Catalog Number:
AG00I9OK
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
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Product Description
Catalog Number:
AG00I9OK
Chemical Name:
Methyl 4-(aminomethyl)bicyclo[2.2.2]octane-1-carboxylate
CAS Number:
54202-09-4
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD20699126
IUPAC Name:
methyl 4-(aminomethyl)bicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-8,12H2,1H3
InChI Key:
IFLWFAYRFUPNPT-UHFFFAOYSA-N
SMILES:
NCC12CCC(CC1)(CC2)C(=O)OC
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties