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Home > Other Heterocycles > 1341037-94-2
1341037-94-2 | benzyl (6S)-3-azabicyclo[4.1.0]heptan-1-ylcarbamate
CAS No: 1341037-94-2 Catalog No: AG01DHJ8 MDL No:MFCD22209668
Product Description
Catalog Number:
AG01DHJ8
Chemical Name:
benzyl (6S)-3-azabicyclo[4.1.0]heptan-1-ylcarbamate
CAS Number:
1341037-94-2
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD22209668
IUPAC Name:
benzyl N-[(6S)-3-azabicyclo[4.1.0]heptan-1-yl]carbamate
InChI:
InChI=1S/C14H18N2O2/c17-13(18-9-11-4-2-1-3-5-11)16-14-8-12(14)6-7-15-10-14/h1-5,12,15H,6-10H2,(H,16,17)/t12-,14?/m0/s1
InChI Key:
ZXHQWOAQDFXOKW-NBFOIZRFSA-N
SMILES:
O=C(NC12CNCC[C@H]2C1)OCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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