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81690-92-8

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Basic Information
CAS No.: 81690-92-8
Name: N-ACETYL-S-(2-CARBAMOYLETHYL)-L-CYSTEINE
Molecular Structure:
Molecular Structure of 81690-92-8 (N-ACETYL-S-(2-CARBAMOYLETHYL)-L-CYSTEINE)
Formula: C8H14N2O4S
Molecular Weight: 234.276
Synonyms: N-Acetyl-S-(3-amino-3-oxopropyl)-L-cysteine;
Density: 1.328 g/cm3
Melting Point: 107-110 °C
Boiling Point: 623.6 °C at 760 mmHg
Flash Point: 330.9 °C
Solubility: Soluble in water
Appearance: White solid
PSA: 134.79000
LogP: 0.27550
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Specification

The L-Cysteine,N-acetyl-S-(3-amino-3-oxopropyl)-, also known as N-APC, is an organic compound with the formula C8H14N2O4S. With the CAS registry number 81690-92-8, its IUPAC name is (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid.

Physical properties of L-Cysteine,N-acetyl-S-(3-amino-3-oxopropyl)-: (1)ACD/LogP: -1.48; (2)ACD/LogD (pH 5.5): -3.99; (3)ACD/LogD (pH 7.4): -5.14; (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: 7; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 55.82 cm3; (13)Molar Volume: 176.2 cm3; (14)Surface Tension: 58.4 dyne/cm; (15)Density: 1.328 g/cm3; (16)Flash Point: 330.9 °C; (17)Enthalpy of Vaporization: 100.8 kJ/mol; (18)Boiling Point: 623.6 °C at 760 mmHg; (19)Vapour Pressure: 3.75E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CSCCC(=O)N)C(=O)O
(2)Isomeric SMILES: CC(=O)N[C@@H](CSCCC(=O)N)C(=O)O
(3)InChI: InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1
(4)InChIKey: GGBCHNJZQQEQRX-LURJTMIESA-N