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51350-19-7

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Basic Information
CAS No.: 51350-19-7
Name: EHNA HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 51350-19-7 (EHNA HYDROCHLORIDE)
Formula: C14H23N5O
Molecular Weight: 313.83
Synonyms: 9H-Purine-9-ethanol,6-amino-b-hexyl-a-methyl-, (R*,S*)-;(R*,S*)-(±)-6-Amino-β-hexyl-α-methyl-9H-purine-9-ethanol;9-erythro-(2-Hydroxyl-3-nonyl)adenine;EHNA;MEP 1;NSC 263165;erythro-9-(2-Hydroxy-3-nonyl)adenine;erythro-9-(2-Hydroxyl-3-nonyl)adenine;3-(6-Amino-9H-purin-9-yl)nonan-2-ol;9H-purine-9-ethanol, 6-amino-β-hexyl-α-methyl-;9H-Purine-9-ethanol, 6-amino-β-hexyl-α-methyl-, (R*,S*)-(±)-;
Density: 1.27 g/cm3
Melting Point: 183～184℃
Boiling Point: 478.2 °C at 760 mmHg
Flash Point: 243 °C
Appearance: solid
PSA: 89.85000
LogP: 3.68400
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Specification

The 9H-Purine-9-ethanol,6-amino-b-hexyl-a-methyl-, (aR,βS)-rel-, with the CAS registry number 51350-19-7, has the systematic name of 3-(6-amino-9H-purin-9-yl)nonan-2-ol. And the molecular formula of the chemical is C14H23N5O.

The characteristics of 9H-Purine-9-ethanol,6-amino-b-hexyl-a-methyl-, (aR,βS)-rel- are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 57.25; (6)ACD/BCF (pH 7.4): 61.72; (7)ACD/KOC (pH 5.5): 617.22; (8)ACD/KOC (pH 7.4): 665.39; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 56.07 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 77.48 cm3; (15)Molar Volume: 218.2 cm3; (16)Polarizability: 30.71×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 243 °C; (20)Enthalpy of Vaporization: 78.2 kJ/mol; (21)Boiling Point: 478.2 °C at 760 mmHg; (22)Vapour Pressure: 5.91E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N
(2)InChI: InChI=1/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
(3)InChIKey: IOSAAWHGJUZBOG-UHFFFAOYAH