CAS No.111060-54-9,(S)-2-(DIBENZYLAMINO)-3-METHYL-1-BUTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111060-54-9
Name:	(S)-2-(DIBENZYLAMINO)-3-METHYL-1-BUTANOL
Article Data:	21

Formula:	C₁₉H₂₅NO
Molecular Weight:	283.414
Synonyms:	1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-, (S)-;(2S)-2-(Dibenzylamino)-3-methylbutan-1-ol;(S)-2-(Dibenzylamino)-3-methyl-1-butanol;(S)-2-(N,N-Dibenzylamino)-3-methylbutanol;Jsp000834;
Density:	1.046 g/cm³
Boiling Point:	397.414 °C at 760 mmHg
Flash Point:	150.614 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN 1993
PSA:	23.47000
LogP:	3.70570

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Specification

The 1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-, (2S)-, with the CAS registry number 111060-54-9, is also known as (S)-2-(Dibenzylamino)-3-methyl-1-butanol. It belongs to the product categories of Chiral Compound; Amino Alcohols; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C₁₉H₂₅NO and molecular weight is 283.41. What's more, its systematic name is (2S)-2-(dibenzylamino)-3-methylbutan-1-ol.

Physical properties of 1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-, (2S)- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 110; (6)ACD/BCF (pH 7.4): 2482; (7)ACD/KOC (pH 5.5): 377; (8)ACD/KOC (pH 7.4): 8523; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 23.47 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 88.627 cm³; (15)Molar Volume: 270.999 cm³; (16)Surface Tension: 42.547 dyne/cm; (17)Density: 1.046 g/cm³; (18)Flash Point: 150.614 °C; (19)Enthalpy of Vaporization: 68.323 kJ/mol; (20)Boiling Point: 397.414 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H](N(Cc1ccccc1)Cc2ccccc2)C(C)C
(2)InChI: InChI=1S/C19H25NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t19-/m1/s1
(3)InChIKey: ZWLAXLXECFRUPM-LJQANCHMSA-N