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821800-99-1 | Butanamide, N-[(1S,2S)-2-hydroxycyclohexyl]-, hydrochloride
CAS No: 821800-99-1 Catalog No: AG0056P7 MDL No:
Product Description
Catalog Number:
AG0056P7
Chemical Name:
Butanamide, N-[(1S,2S)-2-hydroxycyclohexyl]-, hydrochloride
CAS Number:
821800-99-1
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
IUPAC Name:
N-[(1S,2S)-2-hydroxycyclohexyl]butanamide;hydrochloride
InChI:
InChI=1S/C10H19NO2.ClH/c1-2-5-10(13)11-8-6-3-4-7-9(8)12;/h8-9,12H,2-7H2,1H3,(H,11,13);1H/t8-,9-;/m0./s1
InChI Key:
PIMJSLYCZVCIGY-OZZZDHQUSA-N
SMILES:
CCCC(=O)N[C@H]1CCCC[C@@H]1O.Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.725g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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