1,2,5,6,7,8-hexahydroazocin-2-one, 95%

Name: 1,2,5,6,7,8-hexahydroazocin-2-one
Brand: Chempure

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CAS Number

105495-14-5

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About this item

IUPAC name	(6Z)-2,3,4,5-tetrahydro-1H-azocin-8-one
inchi	InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9)/b5-3-
inchi key	VKJBICQSBBONRC-HYXAFXHYSA-N
molecular formula	C7H11NO
synonyms	105495-14-5 (6Z)-2,3,4,5-Tetrahydro-1H-azocin-8-one 2(1H)-Azocinone, 5,6,7,8-tetrahydro-, (Z)- SCHEMBL541181 AKOS006356422

Computed Properties

Molecular Weight:	125.17 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	125.084063974 g/mol
Monoisotopic Mass:	125.084063974 g/mol
Topological Polar Surface Area:	29.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	129
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AY9069

1,2,5,6,7,8-hexahydroazocin-2-one, 95%

Product No: AY9069

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