(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine, >98.0%

Name: (S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
Brand: Chempure

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CAS Number

118949-61-4

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IUPAC name	(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
inchi	InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m1/s1
inchi key	CSGQGLBCAHGJDR-HUUCEWRRSA-N
molecular formula	C17H23N3O2
synonyms	118949-61-4 (S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine 2,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine (S,S)-i-Pr-pybox (S,S)-Ipr-pybox

Computed Properties

Molecular Weight:	301.4 g/mol
XLogP3:	3.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	301.17902698 g/mol
Monoisotopic Mass:	301.17902698 g/mol
Topological Polar Surface Area:	56.1 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	419
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
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. 2 (100%) STOT SE 3 (97.5%)
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 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BB9753

(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine, >98.0%

Product No: BB9753

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