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CAT: 0926-FQD30783-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FQD30783-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2255307-83-4

Smiles

CC (C) (C) OC (=O) N=NC (=O) OC (C) (C) CCOCC#C

Molecular Formula

C14H22N2O5

Molecular Weight

298.33 g/mol

Controlled

Chemical Information

(2-methyl-4-prop-2-ynoxybutan-2-yl) N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate

CAS Number	2255307-83-4
PubChem CID	164888197
IUPAC Name	(2-methyl-4-prop-2-ynoxybutan-2-yl) N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
Molecular Formula	C14H22N2O5
Molecular Weight	298.33
XLogP	2.9
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	440

SMILES

CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)CCOCC#C

InChI

InChI=1S/C14H22N2O5/c1-7-9-19-10-8-14(5,6)21-12(18)16-15-11(17)20-13(2,3)4/h1H,8-10H2,2-6H3

InChIKey

XJQVERHFBNGDPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2255307-83-4

CID: 164888197

Formula: C14H22N2O5

MW: 298.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.33
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	298.15287181
Monoisotopic Mass	298.15287181
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19224523-01	DiaAlk