1-butyl-4-isocyanatocyclohexane, 95%

Name: 1-butyl-4-isocyanatocyclohexane
Brand: Chempure

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CAS Number

1016692-78-6

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About this item

IUPAC name	1-butyl-4-isocyanatocyclohexane
inchi	InChI=1S/C11H19NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h10-11H,2-8H2,1H3
inchi key	VOTOHOJFCJFEFY-UHFFFAOYSA-N
molecular formula	C11H19NO
synonyms	1-butyl-4-isocyanatocyclohexane 1016692-78-6 SCHEMBL1492997 AKOS000166966 EN300-70116

Computed Properties

Molecular Weight:	181.27 g/mol
XLogP3:	4.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	4
Exact Mass:	181.146664230 g/mol
Monoisotopic Mass:	181.146664230 g/mol
Topological Polar Surface Area:	29.4 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	177
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AX6253

1-butyl-4-isocyanatocyclohexane, 95%

Product No: AX6253

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Product No: AX6253

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