CAS No.114389-70-7,(-)-ALPHA-[1-(DIBUTYLAMINO)ETHYL]BENZYL ALCOHOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114389-70-7
Name:	(-)-ALPHA-[1-(DIBUTYLAMINO)ETHYL]BENZYL ALCOHOL
Article Data:	4

Formula:	C₁₇H₂₉NO
Molecular Weight:	263.423
Synonyms:	Benzenemethanol,a-[1-(dibutylamino)ethyl]-,[S-(R,S)]-;(1S,2R)-(-)-(N,N-Dibutylamino)-1-phenyl-1-propanol;(1S,2R)-(-)-2-(N,N-Dibutylamino)-1-phenylpropan-1-ol;(1S,2R)-(-)-2-Dibutylamino-1-phenyl-1-propanol;(1S,2R)-(N,N-Dibutylamino)-1-phenyl-1-propanol;
Density:	0.952 g/cm³
Boiling Point:	373.6 °C at 760 mmHg
Flash Point:	139.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	23.47000
LogP:	4.01070

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- China (Mainland)(18)
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Specification

The Benzenemethanol, a-[(1R)-1-(dibutylamino)ethyl]-, (aS)-, with its CAS registry number 114389-70-7, has the systematic name of (1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol. With its molecular formula of C₁₇H₂₉NO and the molecular weight of 263.42, it is a kind of yellow or green transparent sticky liquid, and it belongs to the product categories which include Amino Alcohols (Chiral); Asymmetric Synthesis; Chiral Building Blocks; Synthetic Organic Chemistry. When store it, you should keep it in the cool, dry and well-ventilated place, away from the strong oxidizer.

The characteristics of Benzenemethanol, a-[(1R)-1-(dibutylamino)ethyl]-, (aS)- are as follows: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 62; (7)ACD/KOC (pH 5.5): 12; (8)ACD/KOC (pH 7.4): 216; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 23.47 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 82.716 cm³; (15)Molar Volume: 276.696 cm³; (16)Polarizability: 32.791×10^-24cm³; (17)Surface Tension: 36.562 dyne/cm ; (18) Density: 0.952 g/cm³; (19)Flash Point: 139.915 °C; (20)Enthalpy of Vaporization: 65.501 kJ/mol; (21)Boiling Point: 373.608 °C at 760 mmHg.

When you are dealing with this chemical, you should be cautious. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing while using it.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O[C@@H](c1ccccc1)[C@H](N(CCCC)CCCC)C
(2)InChI:InChI=1/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m1/s1
(3)InChIKey:BRRGNOFUBFINSX-NVXWUHKLBC
(4)Std. InChI:InChI=1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m1/s1
(5)Std. InChIKey:BRRGNOFUBFINSX-NVXWUHKLSA-N