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Home > Other Heterocycles > 845866-71-9
845866-71-9 | (1S,4S)-(+)-[4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER 2CF3COOH
CAS No: 845866-71-9 Catalog No: AG00GLR5 MDL No:
Product Description
Catalog Number:
AG00GLR5
Chemical Name:
(1S,4S)-(+)-[4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER 2CF3COOH
CAS Number:
845866-71-9
IUPAC Name:
tert-butyl N-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]carbamate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C17H25N3O2.2C2HF3O2/c1-17(2,3)22-16(21)19-13-6-4-12(5-7-13)10-20-11-14-8-15(20)9-18-14;2*3-2(4,5)1(6)7/h4-7,14-15,18H,8-11H2,1-3H3,(H,19,21);2*(H,6,7)/t14-,15-;;/m0../s1
InChI Key:
CJIJWTRIKVGTCH-WVFPUEBHSA-N
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
531.18g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
531.452g/mol
Monoisotopic Mass:
531.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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