3-Hydroxyquinuclidine-3-carbonitrile
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3-Hydroxyquinuclidine-3-carbonitrile
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CAS No:
6238-30-8
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Formula:
C8H12N2O
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Chemical Name:
3-Hydroxyquinuclidine-3-carbonitrile
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Synonyms:
1-Azabicyclo[2.2.2]octane-3-carbonitrile,3-hydroxy-;3-Quinuclidinecarbonitrile,3-hydroxy-;3-Hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile;NSC 168384;3-Hydroxyquinuclidine-3-carbonitrile;3-Cyano-3-hydroxy-1-azabicyclo[2.2.2]octane;138925-19-6
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CAS No:
3-Hydroxyquinuclidine-3-carbonitrile Basic Attributes
152.197
152.19
613-020-5
168384
DTXSID30304927
2933990090
Characteristics
47.3
-0.30
1.2±0.1 g/cm3
172-173 °C @ Solvent: Ethyl acetate
308.0±37.0 °C at 760 mmHg
140.1±26.5 °C
1.572
Safety Information
R20/21/22
S36/37
Xn:Harmful;
P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (66.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:152.19
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:152.094963011
Monoisotopic Mass:152.094963011
Topological Polar Surface Area:47.3
Heavy Atom Count:11
Complexity:211
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-Hydroxyquinuclidine-3-carbonitrile
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