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886-06-6 | TrihexylphenidylRelatedCompoundA.HCL
CAS No: 886-06-6 Catalog No: AG0035R0 MDL No:
Product Description
Catalog Number:
AG0035R0
Chemical Name:
TrihexylphenidylRelatedCompoundA.HCL
CAS Number:
886-06-6
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
IUPAC Name:
1-phenyl-3-piperidin-1-ylpropan-1-one;hydrochloride
InChI:
InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChI Key:
XIROGEVVNHGHFZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCN1CCCCC1.Cl
EC Number:
212-947-9
NSC Number:
145013
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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