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81806-47-5 | (2S
CAS No: 81806-47-5 Catalog No: AG01FOHA MDL No:
Product Description
Catalog Number:
AG01FOHA
Chemical Name:
(2S
CAS Number:
81806-47-5
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO5.C12H23N/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,10-11,15H,6-8H2,(H,16,17);11-13H,1-10H2/t10-,11-;/m0./s1
InChI Key:
JDCOIVWZVLTVNM-ACMTZBLWSA-N
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
446.278g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
446.588g/mol
Monoisotopic Mass:
446.278g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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