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7565-14-2

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Basic Information
CAS No.: 7565-14-2
Name: SAS-512 hydrochloride
Molecular Structure:
Molecular Structure of 7565-14-2 (SAS-512 hydrochloride)
Formula: C13H21NO3
Molecular Weight: 239.3107
Synonyms: 1-(2-Methoxyethylamino)-3-phenoxy-butan-2-ol;
Density: 1.059 g/cm3
Boiling Point: 369.6 °C at 760 mmHg
Flash Point: 177.3 °C
PSA: 50.72000
LogP: 1.44170
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Specification

The 2-Butanol, 1-(2-methoxyethyl)amino-3-phenoxy-, with the CAS registry number 7565-14-2, is also known as 1-[(2-Methoxyethyl)amino]-3-phenoxybutan-2-ol. This chemical's molecular formula is C13H21NO3 and molecular weight is 239.3107. What's more, its IUPAC name is 1-(2-Methoxyethylamino)-3-phenoxybutan-2-ol. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about 2-Butanol, 1-(2-methoxyethyl)amino-3-phenoxy- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): 0.54; (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): 18.76; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 67.52 cm3; (15)Molar Volume: 225.9 cm3; (16)Polarizability: 26.76×10-24 cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.059 g/cm3; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 65.03 kJ/mol; (21)Boiling Point: 369.6 °C at 760 mmHg; (22)Vapour Pressure: 4.09E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccccc1)C(C(O)CNCCOC)C
(2) InChI: InChI=1/C13H21NO3/c1-11(13(15)10-14-8-9-16-2)17-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
(3) InChIKey: SAYKXLOHQBZQLI-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 152mg/kg (152mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS		 Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 1203, 1966.