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137999-85-0

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Basic Information
CAS No.: 137999-85-0
Name: (R)-3-(methylamino)-1-phenylpropanol hydrochloride
Molecular Structure:
Molecular Structure of 137999-85-0 ((R)-3-(methylamino)-1-phenylpropanol hydrochloride)
Formula: C10H16ClNO
Molecular Weight: 201.69314
Synonyms: Benzenemethanol,a-[2-(methylamino)ethyl]-,hydrochloride, (R)- (9CI);
Boiling Point: 255 °C at 760 mmHg
Flash Point: 85.6 °C
PSA: 32.26000
LogP: 2.52240
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Specification

The (R)-3-(Methylamino)-1-phenylpropanol hydrochloride is an organic compound with the formula C10H16ClNO. The systematic name of this chemical is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride (1:1). With the CAS registry number 137999-85-0, it is also named as (1S,2S)-(+)-2-(Methylamino)-1-phenylpropan-1-ol Hydrochloride.

Physical properties about (R)-3-(Methylamino)-1-phenylpropanol hydrochloride are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): -1.99; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å2; (12)Flash Point: 85.6 °C; (13)Enthalpy of Vaporization: 52.03 kJ/mol; (14)Boiling Point: 255 °C at 760 mmHg; (15)Vapour Pressure: 0.00865 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O[C@@H](c1ccccc1)[C@@H](NC)C
(2)InChI: InChI=1/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
(3)InChIKey: BALXUFOVQVENIU-KXNXZCPBBT
(4)Std. InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
(5)Std. InChIKey: BALXUFOVQVENIU-KXNXZCPBSA-N