L-Cystine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- supplier

Name
N,N'-DIDANSYL-L-CYSTINE
EINECS 251-042-3
CAS No. 32442-99-2
Density 1.497 g/cm³
Solubility Complete soluble in water，1% methanol
Melting Point
Formula C₁₈H₂₃N₃O₆S₃
Boiling Point 708.7 °C at 760 mmHg
Molecular Weight 473.5867
Flash Point 382.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cystine,N-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-, L- (8CI);Dansyl-L-cystine;
PSA 209.01000
LogP 3.60260

L-Cystine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- Specification

The L-Cystine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, with the CAS registry number 32442-99-2, is also known as N-((5-(Dimethylamino)-1-naphthyl)sulphonyl)-L-cystine. This chemical's molecular formula is C₁₈H₂₃N₃O₆S₃ and molecular weight is 473.5867. Its systematic name is called N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-cystine.

Physical properties of L-Cystine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.52; (8)ACD/KOC (pH 7.4): 1.95; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.687; (13)Molar Refractivity: 120.61 cm³; (14)Molar Volume: 316.2 cm³; (15)Surface Tension: 76.8 dyne/cm; (16)Density: 1.497 g/cm³; (17)Flash Point: 382.4 °C; (18)Enthalpy of Vaporization: 108.84 kJ/mol; (19)Boiling Point: 708.7 °C at 760 mmHg; (20)Vapour Pressure: 4.41E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H](N)CSSC[C@H](NS(=O)(=O)c2cccc1c2cccc1N(C)C)C(O)=O
(2)InChI: InChI=1/C18H23N3O6S3/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)30(26,27)20-14(18(24)25)10-29-28-9-13(19)17(22)23/h3-8,13-14,20H,9-10,19H2,1-2H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1
(3)InChIKey: USWIMCHOXDPGKC-KBPBESRZBF

Product Name

N,N'-DIDANSYL-L-CYSTINE

L-Cystine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- Specification

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