N- (5-Hexynyl) phthalimide

CAT: 0024-sc-235948Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235948Size:5 g

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CAS Number

6097-08-1

Chemical Information

N-(5-Hexynyl)phthalimide

CAS Number	6097-08-1
PubChem CID	3346053
IUPAC Name	2-hex-5-ynylisoindole-1,3-dione
Molecular Formula	C14H13NO2
Molecular Weight	227.26
XLogP	2.8
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	342

SMILES

C#CCCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2

InChIKey

WALVSJIWVWDFCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6097-08-1

CID: 3346053

Formula: C14H13NO2

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	227.094628657
Monoisotopic Mass	227.094628657
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	342
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

Catalog	Name
sc-269665	N- (5-Bromopentyl) phthalimide
sc-206449	2-Hexynyl-5′-N-ethylcarboxamidoadenosine
sc-286350	N- (5-Aminopentyl) -phthalimide hydrochloride
sc-228646	N- (Phenylthio) phthalimide
sc-253084	N- (Phenylseleno) phthalimide
sc-228646A	N- (Phenylthio) phthalimide
sc-477867	N-Phthalimide-linagliptin
sc-253082	N- (Hydroxymethyl) phthalimide
sc-250435	N- (Bromomethyl) phthalimide
sc-253084A	N- (Phenylseleno) phthalimide

Catalog	Name
OR1028514-01	N- (5-Hexynyl) Phthalimide
FB66371-01	N- (5-Bromopentyl) phthalimide
OR13328-01	N- (5-Carboxypentyl) phthalimide
702009	N‐(5‐BROMOPENTYL)PHTHALIMIDE
PC7390	N- (5-Bromo-2-fluorobenzyl) phthalimide
272558-01	N-[2- (2,5-Dimethoxyphenyl) ethyl]phthalimide
D470670	N-[2-(2,5-Dimethoxyphenyl)ethyl]phthalimide
P688201	(±)-Pomolidomide-d3 (phthalimide-4,5,6-d3)
MBS5783574	Phthalimide, N-(5-(4-amino-o-tolyloxy)pentyl)-
MBS5783568	Phthalimide, N-(5-(4-amino-2-chlorophenoxy)pentyl)-