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(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one

(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one structure

CAS No:
79200-56-9
Formula:
C6H7NO
Chemical Name:
(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
Synonyms:
2-Azabicyclo[2.2.1]hept-5-en-3-one,(1R,4S)-;2-Azabicyclo[2.2.1]hept-5-en-3-one,(1R)-;(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one;(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one;(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one;(1R,4S)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one;(-)-Vince lactam;(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one;1315057-26-1;1933691-52-1;2088056-75-9;2310326-30-6
Categories:
Biochemical Engineering > Biochemical Reagents

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(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one Basic Attributes

Molecular Weight：

109.13

Exact Mass：

109.13

EC Number：

418-530-1

DSSTox ID：

DTXSID10369337

Characteristics

Density：

1.198±0.06 g/cm3

Melting Point：

94-95 °C

Boiling Point：

319.3±0.0 °C(Predicted)

PKA：

15.48±0.20

Safety Information

wgk germany：

hazard class code：

22-41-43

safety instructions：

24-26-37/39

Marks：

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 42 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one Use and Manufacturing

((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one is an abacavir intermediate. It is used as an intermediate in the synthesis of carbocyclic sugar amines, carbanucleosides, and carbocyclic dinucleotide analogues.

Computed Properties

Molecular Weight:109.13
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:109.052763847
Monoisotopic Mass:109.052763847
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:162
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (-)-2-Azabicyclo[2.2.1]hept-5-en-3-one

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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