N-(4-Bromobutyl)phthalimide - CAS 5394-18-3

Name: N-(4-Bromobutyl)phthalimide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028407
Product Name:	N-(4-Bromobutyl)phthalimide
CAS:	5394-18-3
Synonyms:	2-(4-bromobutyl)isoindole-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromobutyl)isoindole-1,3-dione
Description:	N-(4-Bromobutyl)phthalimide (CAS# 5394-18-3) is used in the preparation of β-cyclodextrin derivatives that block the pore formed by protective antigen for the inhibition of the action of anthrax toxin.
Molecular Weight:	282.13
Molecular Formula:	C12H12BrNO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr
InChI:	InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
InChI Key:	UXFWTIGUWHJKDD-UHFFFAOYSA-N
Boiling Point:	381.3 °C at 760 mmHg
Density:	1.513 g/cm³
MDL:	MFCD00005905
LogP:	2.39560

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
20197642	20100601	Dilution of boar ejaculates with BTS containing HEPES in place of bicarbonate immediately after ejaculation can reduce the increased inducibility of the acrosome reaction by treatment with calcium and calcium ionophore A23187, which is potentially associated with boar subfertility	The Journal of reproduction and development
18774600	20090115	Effects of taurine and hypotaurine supplementation and ionophore concentrations on post-thaw acrosome reaction of dog spermatozoa	Theriogenology

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.00514
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.00514
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3