Apronal

CAT: 0127-OR1028751-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1028751-04Size:25 g

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

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CAS Number

528-92-7

Synonyms

N-carbamoyl-2-propan-2-ylpent-4-enamide

Purity

99%

Smiles

CC(C)C(CC=C)C(=O)NC(=O)N

Chemical Information

Allylisopropylacetylurea

Apronal is a N-acylurea.

CAS Number	528-92-7
PubChem CID	10715
IUPAC Name	N-carbamoyl-2-propan-2-ylpent-4-enamide
Molecular Formula	C9H16N2O2
Molecular Weight	184.24
XLogP	1.7
Topological Polar Surface Area	72.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	212

SMILES

CC(C)C(CC=C)C(=O)NC(=O)N

InChI

InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)

InChIKey

KSUUMAWCGDNLFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 528-92-7

CID: 10715

Formula: C9H16N2O2

MW: 184.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.24
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	184.121177757
Monoisotopic Mass	184.121177757
Topological Polar Surface Area	72.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes