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Home > Indoles and Oxindole > 1217992-42-1
1217992-42-1 | tert-butyl-N-[octahydro-1H-isoindol-5-yl]carbamate
CAS No: 1217992-42-1 Catalog No: AG01BHIQ MDL No:MFCD12078956
Product Description
Catalog Number:
AG01BHIQ
Chemical Name:
tert-butyl-N-[octahydro-1H-isoindol-5-yl]carbamate
CAS Number:
1217992-42-1
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD12078956
IUPAC Name:
tert-butyl N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-5-4-9-7-14-8-10(9)6-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?/m0/s1
InChI Key:
MAKONFGDMPDBED-MTULOOOASA-N
SMILES:
O=C(OC(C)(C)C)NC1CC[C@@H]2[C@H](C1)CNC2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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