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Merck
CN

642118

(3R,5S,8aR)-(−)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile

97%

Synonym(s):

(−)-2-Cyano-6-phenyloxazolopiperidine, [3R-(3α,5β,8aβ)]-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridin-5-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C14H16N2O
CAS Number:
88056-92-2
Molecular Weight:
228.29
NACRES:
NA.22
PubChem Substance ID:
24883171
UNSPSC Code:
12352005
MDL number:
MFCD00142338

Key Documents

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InChI

1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m0/s1

SMILES string

[H][C@@]12CCC[C@@H](C#N)N1[C@@H](CO2)c3ccccc3

InChI key

GQHMNZGZXHZLEN-MELADBBJSA-N

assay

97%

form

solid

mp

79-83 °C (lit.)

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
08428DJ
13701LD

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