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CAS Number: 81879-64-3
3-benzyl-3-azabicyclo[3.3.1]nonan-9-one

Structure

 3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
Name: 3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
Synonyms:
General Information
Product Number: 81879643

CAS Registry Number 81879-64-3
Name:
3-?Azabicyclo[3.3.1]?nonan-?9-?one, 3-?(phenylmethyl)?-
3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one

 

Chemical Formula: C15H19NO
Exact Mass: 229.15
Molecular Weight: 229.32
m/z: 229.15 (100.0%), 230.15 (16.5%), 231.15 (1.5%)

 

InChI:InChI=1S/C15H19NO/c17-15-13-7-4-8-14(15)11-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2

InChI Key:TWCUMUDCNSLOTN-UHFFFAOYSA-N

Canonical SMILES:C1CC2CN(CC(C1)C2=O)CC3=CC=CC=C3

 

Thermal Properties Value Condition Note
Melting Point 101-102 °C   (3)CAS
Melting Point 51 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 49-50 °C   (1)CAS

Specification

98%
References
  1. (1) Moskalenko, A. I.; Russian Journal of Organic Chemistry 2009, V45(3), P472-474 CAPLUS
  2. (3) Moskalenko, A. I.; Russian Journal of Organic Chemistry 2009, V45(6), P895-899 CAPLUS
  3. (4) Mityuk, Andrey P.; Synthesis 2010, (3), P493-497 CAPLUS
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