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Chemical structure of (S)-1-Benzylpyrrolidin-3-ol

GC66076

(S)-1-Benzylpyrrolidin-3-ol

Also known as (3S)-1-benzylpyrrolidin-3-ol

(S)-1-Benzylpyrrolidin-3-ol (Compound 14) can be used to synthesis impurities of the anti-hypertensive drug Barnidipine hydrochloride (HY-107322)

ChemicalCAS101385-90-4MW177.25FormulaC11H15NO
CAS number
101385-90-4
Molecular weight
177.25
Formula
C11H15NO
Solubility
DMSO ： 250 mg/mL (1410·44 mM; Need ultrasonic)
InChIKey
YQMXOIAIYXXXEE-NSHDSACASA-N
Catalogue number
GC66076
Brand
GLPBIO
Computed properties PubChem CID 2733875 · XLogP 1.3 · TPSA 23.5 Ų · H-bond donors 1
XLogP
1.3
TPSA
23.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

SMILES C1CN(C[C@H]1O)CC2=CC=CC=C2

Computed descriptors from PubChem (CID 2733875), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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