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Home > Encyclopedia > rel-(3aR,7aS)-Octahydro-1H-isoindole

rel-(3aR,7aS)-Octahydro-1H-isoindole

rel-(3aR,7aS)-Octahydro-1H-isoindole structure

rel-(3aR,7aS)-Octahydro-1H-isoindole 

structure
  • CAS No:

    1470-99-1

  • Formula:

    C8H15N

  • Chemical Name:

    rel-(3aR,7aS)-Octahydro-1H-isoindole

  • Synonyms:

    1H-Isoindole,octahydro-,(3aR,7aS)-rel-;Isoindoline,hexahydro-,cis-;1H-Isoindole,octahydro-,cis-;rel-(3aR,7aS)-Octahydro-1H-isoindole;cis-Octahydroisoindole;cis-Hexahydroisoindoline;cis-Octahydro-2H-isoindole;cis-Octahydro-1H-isoindole

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Yellow Low Melting Solid

rel-(3aR,7aS)-Octahydro-1H-isoindole Basic Attributes

125.21

125.21

1806241-263-5

DTXSID70449942

2933990090

Characteristics

12

1.7

0.915±0.06 g/cm3(Predicted)

96 °C @ Press: 30 Torr

62.087ºC

1.4910 to 1.4950

Refrigerator

0.548mmHg at 25°C

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:125.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:125.120449483
Monoisotopic Mass:125.120449483
Topological Polar Surface Area:12
Heavy Atom Count:9
Complexity:88.7
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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