Home Other Building Blocks benzyl N-[(1R,2R)-2-hydroxycycloheptyl]carbamate

benzyl N-[(1R,2R)-2-hydroxycycloheptyl]carbamate

CAS No.:
1448438-55-8
Catalog Number:
AG01EMKK
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
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Product Description
Catalog Number:
AG01EMKK
Chemical Name:
benzyl N-[(1R,2R)-2-hydroxycycloheptyl]carbamate
CAS Number:
1448438-55-8
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD31666039
IUPAC Name:
benzyl N-[(1R,2R)-2-hydroxycycloheptyl]carbamate
InChI:
InChI=1S/C15H21NO3/c17-14-10-6-2-5-9-13(14)16-15(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14,17H,2,5-6,9-11H2,(H,16,18)/t13-,14-/m1/s1
InChI Key:
AMGAYIMPQQNONB-ZIAGYGMSSA-N
SMILES:
O=C(N[C@@H]1CCCCC[C@H]1O)OCc1ccccc1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties