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(S) -2-Benzylpiperidine

CAT: 0127-OR321341Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR321341Size:1 Each
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CAS Number
99112-94-4
MDL Number
MFCD20668171
Purity
97%
Smiles
C([C@@H]1CCCCN1)c2ccccc2
Storage Conditions
Store at 2-8°C

Chemical Information

(S)-2-Benzylpiperidine
CAS Number99112-94-4
PubChem CID1201373
IUPAC Name(2S)-2-benzylpiperidine
Molecular FormulaC12H17N
Molecular Weight175.27
XLogP2.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity138
SMILES
C1CCN[C@@H](C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12-13H,4-5,8-10H2/t12-/m0/s1
InChIKey
ITXCORRITGNIHP-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Benzylpiperidine
CAS: 99112-94-4
CID: 1201373
Formula: C12H17N
MW: 175.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.27
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass175.136099547
Monoisotopic Mass175.136099547
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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