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1159826-40-0 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 1159826-40-0 Catalog No: AG000HCT MDL No:MFCD23134537
Product Description
Catalog Number:
AG000HCT
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
1159826-40-0
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD23134537
IUPAC Name:
tert-butyl 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-8,14H2,1-3H3
InChI Key:
JYURWVQSNWVJSV-UHFFFAOYSA-N
SMILES:
NCC1CC2CCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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