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Basic Information
CAS No.: 53332-29-9
Name: DANSYL-L-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT
Molecular Structure:
Molecular Structure of 53332-29-9 (DANSYL-L-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT)
Formula: C28H44N4O6S
Molecular Weight: 564.7372
Synonyms: N-((5-(Dimethylamino)-1-naphthyl)sulphonyl)-L-aspartic acid, compound with cyclohexylamine (1:2);
EINECS: 258-480-4
Boiling Point: 569.5 °C at 760 mmHg
Flash Point: 298.2 °C
PSA: 158.41000
LogP: 4.56180
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  • DANSYL-L-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT

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Specification

The Cyclohexanamine; (2S)-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butanedioic acid, with CAS registry number 53332-29-9, belongs to the following product categories: (1)A - HFluorescent Probes, Labels, Particles and Stains; (2)Amino Acids; (3)Amino acids and other organic acid conjugates; (4)Fluorescent Conjugates; (5)Modified Amino Acids. It has the systematic name of N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-aspartic acid - cyclohexanamine (1:2). This chemical should be stored at the temperature of-20°C.

Physical properties of Cyclohexanamine; (2S)-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butanedioic acid: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 101.6 Å2; (13)Flash Point: 298.2 °C; (14)Enthalpy of Vaporization: 89.89 kJ/mol; (15)Boiling Point: 569.5 °C at 760 mmHg; (16)Vapour Pressure: 8.26E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C.NC1CCCCC1.NC1CCCCC1
(2)InChI: InChI=1/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2/t12-;;/m0../s1
(3)InChIKey: LANKQSXUDGQIRJ-LTCKWSDVBW
(4)Std. InChI: InChI=1S/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2/t12-;;/m0../s1
(5)Std. InChIKey: LANKQSXUDGQIRJ-LTCKWSDVSA-N