Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
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![Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/392c974804b546249d491b42234606cb.png "Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)")
Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
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CAS No:
33918-18-2
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Formula:
C9H16N2.C8H16O2
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Chemical Name:
Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
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Synonyms:
Hexanoic acid,2-ethyl-,compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1);Pyrimido[1,2-a]azepine,2,3,4,6,7,8,9,10-octahydro-,mono(2-ethylhexanoate);1,8-Diazabicyclo[5.4.0]undec-7-ene 2-ethylhexanoic acid salt;1,8-Diazabicyclo[5.4.0]undec-7-ene 2-ethylhexanoate;1,8-Diazabicyclo[5.4.0]-7-undecene 2-ethylhexoate;U-CAT 102;U-CAT SA 102;Polycat SA 102;U 102;Dabco SA 102;SA 102;DBU 2-ethylhexanoate;CAT S 102;97143-76-5;100568-27-2;113403-06-8;114167-00-9;60317-36-4;77193-58-9;80004-12-2;83329-52-6;168967-85-9
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CAS No:
Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1) Basic Attributes
296.45
296.24600
2933990090
Safety Information
36/38
26
Xi
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (95.83%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 24 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:296.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:296.246378268
Monoisotopic Mass:296.246378268
Topological Polar Surface Area:52.9
Heavy Atom Count:21
Complexity:262
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
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