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2-Thiophenemethanol, a-[2-(methylamino)ethyl]-, (aS)- (116539-55-0)

Identification
Name:2-Thiophenemethanol, a-[2-(methylamino)ethyl]-, (aS)-
Synonyms:2-Thiophenemethanol,a-[2-(methylamino)ethyl]-, (S)-;(1S)-(-)-3-(Methylamino)-1-(thien-2-yl)propan-1-ol;(S)-(-)-3-(N-Methylamino)-1-(2-thienyl)-1-propanol;(S)-3-Methylamino-1-(2-thienyl)-1-propanol;N-Methyl-(S)-(-)-3-Hydroxy-3-(2-thiophen)propylamine;
CAS:116539-55-0
Molecular Formula: C8H13NOS
Molecular Weight: 171.26
InChI: InChI=1/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3
Molecular Structure: (C8H13NOS) 2-Thiophenemethanol,a-[2-(methylamino)ethyl]-, (S)-;(1S)-(-)-3-(Methylamino)-1-(thien-2-yl)propan-1-...
Properties
Density:1.128 g/cm3
Refractive index:1.553
Specification:

The 3-Methylamino-1-(2-thienyl)-1-propanol, with the CAS registry number 116539-55-0, has the systematic name of (1S)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol. And the molecular formula of the chemical is C8H13NOS.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.5 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 48.585 cm3; (15)Molar Volume: 151.814 cm3; (16)Polarizability: 19.261×10-24cm3; (17)Surface Tension: 43.53 dyne/cm; (18)Density: 1.128 g/cm3; (19)Flash Point: 131.781 °C; (20)Enthalpy of Vaporization: 56.385 kJ/mol; (21)Boiling Point: 294.288 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H](c1sccc1)CCNC
(2)InChI: InChI=1/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
(3)InChIKey: YEJVVFOJMOHFRL-ZETCQYMHBE

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