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859927-91-6 | Cyclohexanecarboxylicacid, 1-[(phenylmethyl)amino]-, hydrochloride (1:1)
CAS No: 859927-91-6 Catalog No: AG004Q2S MDL No:
Product Description
Catalog Number:
AG004Q2S
Chemical Name:
Cyclohexanecarboxylicacid, 1-[(phenylmethyl)amino]-, hydrochloride (1:1)
CAS Number:
859927-91-6
Molecular Formula:
C14H20ClNO2
Molecular Weight:
269.7671
IUPAC Name:
1-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C14H19NO2.ClH/c16-13(17)14(9-5-2-6-10-14)15-11-12-7-3-1-4-8-12;/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,16,17);1H
InChI Key:
BAJNWLPDYFLTJB-UHFFFAOYSA-N
SMILES:
OC(=O)C1(NCc2ccccc2)CCCCC1.Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.769g/mol
Monoisotopic Mass:
269.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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