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6349-98-0

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Basic Information
CAS No.: 6349-98-0
Name: PHTHALYL-DL-GLUTAMIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 6349-98-0 (PHTHALYL-DL-GLUTAMIC ACID)
Formula: C13H11 N O6
Molecular Weight: 277.233
Synonyms: Glutaricacid, 2-phthalimido- (6CI,8CI); 2-Phthalimido-DL-glutaric acid;2-Phthalimidoglutaric acid; Ba 2733; DL-2-Phthalimidoglutaric acid; NSC 120849;NSC 43131
Density: 1.566±0.06 g/cm3(Predicted)
Melting Point: 189.0 to 193.0 °C
Boiling Point: 519.0±40.0 °C(Predicted)
PSA: 111.98000
LogP: 0.53850
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Chemistry

Molecule structure of N-Phthaloyl-L-glutamic acid (CAS NO.6349-98-0):

IUPAC Name: 2-(1,3-Dioxoisoindol-2-yl)pentanedioic acid 
Molecular Weight: 277.22954 g/mol
Molecular Formula: C13H11NO6 
Density: 1.566 g/cm3 
Boiling Point: 519 °C at 760 mmHg 
Flash Point: 267.7 °C
Index of Refraction: 1.641
Molar Refractivity: 63.9 cm3
Molar Volume: 176.9 cm3
Polarizability: 25.33×10-24 cm3
Surface Tension: 81.5 dyne/cm 
Enthalpy of Vaporization: 83.35 kJ/mol
Vapour Pressure: 1.34E-11 mmHg at 25 °C
XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Exact Mass: 277.058637
MonoIsotopic Mass: 277.058637
Topological Polar Surface Area: 112
Heavy Atom Count: 20
Complexity: 436
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O
InChI: InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)
InChIKey: FEFFSKLJNYRHQN-UHFFFAOYSA-N
EINECS: 218-952-2
Product Categories of N-Phthaloyl-L-glutamic acid (CAS NO.6349-98-0): N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
RTECS: MA3810000

Specification

 N-Phthaloyl-L-glutamic acid (CAS NO.6349-98-0) is also called 2-Phthalimidoglutaric acid ; Ba 2733 ; Glutamic acid, phthalyl- ; Glutaric acid, 2-phthalimido- ; N-Phthalyl-D,L-glutamic acid ; N-Phthalyl-DL-glutaminsaure ; N-Phthalyl-DL-glutaminsaure [German] ; N-Phthalyl-dl-glutamate ; N-Phthalylglutamic acid ; NPLG ; NSC 43131 ; Phthaloyl-dl-glutamic acid ; Phthalylglutamic acid ; (1)-2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)glutaric acid ; 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)glutaric acid ; Glutaric acid, 2-phthalimido-, DL- ; Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)- ; Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- (9CI) .