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159190-45-1

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Basic Information
CAS No.: 159190-45-1
Name: L-N6-(1-IMINOETHYL)LYSINE DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 159190-45-1 (L-N6-(1-IMINOETHYL)LYSINE DIHYDROCHLORIDE)
Formula: C8H19Cl2N3O2
Molecular Weight: 260.16
Synonyms: N6-Ethanimidoyl-L-lysine dihydrochloride;
Boiling Point: 369 °C at 760 mmHg
Flash Point: 177 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 99.20000
LogP: 2.95030
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Specification

The L-Lysine,N6-(1-iminoethyl)-, hydrochloride (1:2), with the CAS registry number of 159190-45-1, is also known as N6-Ethanimidoyl-L-lysine dihydrochloride. It belongs to the product category of Nitric Oxide. Its molecular formula is C8H19Cl2N3O2 and molecular weight is 260.16. What's more, its IUPAC name is (2S)-2-Amino-6-(1-aminoethylideneamino)hexanoic acid dihydrochloride. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the L-Lysine,N6-(1-iminoethyl)-, hydrochloride (1:2) are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.32; (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: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 45.14 Å2; (13)Flash Point: 177 °C; (14)Enthalpy of Vaporization: 67.62 kJ/mol; (15)Boiling Point: 369 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C(O)[C@@H](N)CCCC/N=C(/N)C
(2) InChI: InChI=1/C8H17N3O2.2ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);2*1H/t7-;;/m0../s1
(3) InChIKey: OQIBCXRAFAHXMM-KLXURFKVBH