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30953-86-7 | 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (S)- (8CI,9CI)
CAS No: 30953-86-7 Catalog No: AG0031RG MDL No:
Product Description
Catalog Number:
AG0031RG
Chemical Name:
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (S)- (8CI,9CI)
CAS Number:
30953-86-7
Molecular Formula:
C20H32ClNO
Molecular Weight:
337.9272
IUPAC Name:
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
InChI:
InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H/t20-;/m1./s1
InChI Key:
QDWJJTJNXAKQKD-VEIFNGETSA-N
SMILES:
O[C@](c1ccccc1)(C1CCCCC1)CCN1CCCCC1.Cl
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.217g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.932g/mol
Monoisotopic Mass:
337.217g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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