4-Phthalimidobutyric acid - CAS 3130-75-4

Catalog:	BB046977
Product Name:	4-Phthalimidobutyric acid
CAS:	3130-75-4
Synonyms:	4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid; N-Phthalyl-gamma-aminobutyric acid; NSC 119133

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(1,3-dioxoisoindol-2-yl)butanoic acid
Description:	4-Phthalimidobutyric acid (CAS# 3130-75-4 ) is a useful research chemical.
Molecular Weight:	233.23
Molecular Formula:	C12H11NO4
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O
InChI:	InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
InChI Key:	HMKSXJBFBVGLJJ-UHFFFAOYSA-N
Melting Point:	119-121 °C
Purity:	97 %
MDL:	MFCD00196079

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[7492-88-8]
3-piperidinecarbonitrile
[1256633-32-5]
4,5-Isoxazoledicarbonitrile
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	328
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.06880783
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.06880783
Rotatable Bond Count:	4
Topological Polar Surface Area:	74.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3