CAS No.18881-17-9,(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	18881-17-9
Name:	(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL
Article Data:	17

Formula:	C₁₀H₁₃NO
Molecular Weight:	163.219
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;
Density:	1.082 g/cm³
Melting Point:	114-116 °C(lit.)
Boiling Point:	307.935 °C at 760 mmHg
Flash Point:	146.97 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	32.26000
LogP:	1.02200

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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