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(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol

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Name

(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol

EINECS N/A
CAS No. 18881-17-9 Density 1.082 g/cm3
PSA 32.26000 LogP 1.02200
Solubility N/A Melting Point 114-116 °C(lit.)
Formula C10H13NO Boiling Point 307.935 °C at 760 mmHg
Molecular Weight 163.219 Flash Point 146.97 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 18881-17-9 ((S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL) Hazard Symbols IrritantXi
Synonyms

3-Isoquinolinemethanol,1,2,3,4-tetrahydro-, (S)- (8CI);(S)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol;(S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol;(S)-3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline;

Article Data 17

(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol Specification

The (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol, with the CAS registry number 18881-17-9, has the systematic name of (3S)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol. It is a kind of white to light yellow crystal powder, and belogns to the following product categories: Chiral; Chiral Building Blocks; Heterocyclic Building Blocks; Isoquinolines. And the molecular formula of this chemical is C10H13NO. It should be stored in the sealed containers, and do not decompose if use and store in accordance with specifications.

The physical properties of (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol are as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (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): 3.117; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 48.004 cm3; (13)Molar Volume: 150.867 cm3; (14)Polarizability: 19.03×10-24cm3; (15)Surface Tension: 43.464 dyne/cm; (16)Density: 1.082 g/cm3; (17)Flash Point: 146.97 °C; (18)Enthalpy of Vaporization: 57.922 kJ/mol; (19)Boiling Point: 307.935 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C[C@H](NC2)CO
(2)InChI: InChI=1/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
(3)InChIKey: ZSKDXMLMMQFHGW-JTQLQIEIBX

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