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102586-07-2

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Basic Information
CAS No.: 102586-07-2
Name: 2-[carbamoyl(nitroso)amino]-6-(1-methyl-3-oxotriazan-2-yl)hexanoic acid
Molecular Structure:
Molecular Structure of 102586-07-2 (2-[carbamoyl(nitroso)amino]-6-(1-methyl-3-oxotriazan-2-yl)hexanoic acid)
Formula: C8H16N6O5
Molecular Weight: 276.2498
Density: 1.53 g/cm3
Boiling Point: 468.5 °C at 760 mmHg
Flash Point: 237.1 °C
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  • N(sup 2)-Carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-methylaminolysine

  • Casno:

    102586-07-2

    N(sup 2)-Carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-methylaminolysine

    Min.Order: 10 Gram

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • N(sup 2)-Carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-methylaminolysine

  • Casno:

    102586-07-2

    N(sup 2)-Carbamoyl-N(sup 2),N(sup 6)-dinitroso-N(sup 6)-methylaminolysine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The N(sup 2)-Carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylaminolysine, with the CAS registry number 102586-07-2, is also known as Lysine, N(sup 2)-carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylamino-. This chemical's molecular formula is C8H16N6O5 and molecular weight is 276.249840. What's more, its IUPAC name is 2-[Carbamoyl(nitroso)amino]-6-[methylamino(nitroso)amino]hexanoic acid. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about N(sup 2)-Carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylaminolysine are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -3.67; (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: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 115.19 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 62.47 cm3; (15)Molar Volume: 179.5 cm3; (16)Polarizability: 24.76×10-24 cm3; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 237.1 °C; (20)Enthalpy of Vaporization: 80.05 kJ/mol; (21)Boiling Point: 468.5 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)N(N=O)C(C(=O)O)CCCCN(N=O)NC
(2) InChI: InChI=1/C8H16N6O5/c1-10-13(11-18)5-3-2-4-6(7(15)16)14(12-19)8(9)17/h6,10H,2-5H2,1H3,(H2,9,17)(H,15,16)
(3) InChIKey: FPVUTCYSOMSORQ-UHFFFAOYAU

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 601, 1978.