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(3R,4S)-1-benzyl-4-methylpyrrolidin-3-ol

(3R,4S)-1-benzyl-4-methylpyrrolidin-3-ol

CAS: 144124-87-8

Formula: C12H17NO

SMILES: C[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1O

IUPAC: (3R,4S)-1-benzyl-4-methylpyrrolidin-3-ol

InChI: InChI=1S/C12H17NO/c1-10-7-13(9-12(10)14)8-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t10-,12-/m0/s1

Composition: C (75.35%), H (8.96%), N (7.32%), O (8.36%)

Molar Mass: 191.274

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 191.131014171
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NTDFIGIMQABQLD-JQWIXIFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.88
Topological Polar Surface Area 23.47
Polarizability 22.81
Ring Count 2
Rotatable Bond Count 2

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