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25460-87-1

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Basic Information
CAS No.: 25460-87-1
Name: AC-GLU-NH2
Article Data: 1
Molecular Structure:
Molecular Structure of 25460-87-1 (AC-GLU-NH2)
Formula: C7H12N2O4
Molecular Weight: 188.183
Synonyms: Glutaramic acid, 4-acetamido-, L- (8CI);Pentanoic acid, 4-(acetylamino)-5-amino-5-oxo-,(S)-;N-Acetyl-L-isoglutamine;
Density: 1.291 g/cm3
Boiling Point: 582.76 °C at 760 mmHg
Flash Point: 306.242 °C
PSA: 109.49000
LogP: -0.06760
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Specification

The Pentanoic acid, 4-(acetylamino)-5-amino-5-oxo-,(4S)- is an organic compound with the formula C7H12N2O4. The systematic name of this chemical is N-Acetyl-L-isoglutamine. With the CAS registry number 25460-87-1, it is also named as (S)-4-(Acetylamino)-5-amino-5-oxopentanoic acid.

Physical properties about Pentanoic acid, 4-(acetylamino)-5-amino-5-oxo-,(4S)- are: (1)ACD/LogP: -2.05; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 109.49 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 43.192 cm3; (14)Molar Volume: 145.818 cm3; (15)Polarizability: 17.122×10-24cm3; (16)Surface Tension: 54.915 dyne/cm; (17)Density: 1.291 g/cm3; (18)Flash Point: 306.242 °C; (19)Enthalpy of Vaporization: 95.18 kJ/mol; (20)Boiling Point: 582.76 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)NC(CCC(O)=O)C(N)=O
(2)InChI: InChI=1/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)
(3)InChIKey: ZAFUMUJQGCBVPX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)
(5)Std. InChIKey: ZAFUMUJQGCBVPX-UHFFFAOYSA-N