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L-Ornithine,N5-[imino(propylamino)methyl]-

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Name

L-Ornithine,N5-[imino(propylamino)methyl]-

EINECS N/A
CAS No. 137361-05-8 Density 1.24 g/cm3
PSA 111.23000 LogP 1.28430
Solubility N/A Melting Point 198-200?C
Formula C9H20N4O2 Boiling Point 411 °C at 760 mmHg
Molecular Weight 216.283 Flash Point 202.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R8; R34
Molecular Structure Molecular Structure of 137361-05-8 (N-OMEGA-PROPYL-L-ARGININE) Hazard Symbols C,O
Synonyms

(S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid;

Article Data 1

L-Ornithine,N5-[imino(propylamino)methyl]- Specification

The L-Ornithine,N5-[imino(propylamino)methyl]-, with the CAS registry number of 137361-05-8, is also known as (S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid. It belongs to the product categories of All Inhibitors; Inhibitors; Nitric Oxide Reagents. Its molecular formula is C9H20N4O2 and molecular weight is 216.28. What's more, its systematic name is N5-(N'-propylcarbamimidoyl)-L-ornithine. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the L-Ornithine,N5-[imino(propylamino)methyl]- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 48.38 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 55.47 cm3; (13)Molar Volume: 174.1 cm3; (14)Surface Tension: 48.4 dyne/cm; (15)Density: 1.24 g/cm3; (16)Flash Point: 202.4 °C; (17)Enthalpy of Vaporization: 72.79 kJ/mol; (18)Boiling Point: 411 °C at 760 mmHg; (19)Vapour Pressure: 6.6E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CCCN/C(=N/CCC)N
(2) InChI: InChI=1/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
(3) InChIKey: AOMXURITGZJPKB-ZETCQYMHBU

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