CAS No.78603-95-9,(S)-(-)-2-AMINO-3-METHYL-1,1-DIPHENYL-1-BUTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78603-95-9
Name:	(S)-(-)-2-AMINO-3-METHYL-1,1-DIPHENYL-1-BUTANOL
Article Data:	34

Formula:	C₁₇H₂₁NO
Molecular Weight:	255.36
Synonyms:	Benzenemethanol,a-(1-amino-2-methylpropyl)-a-phenyl-, (S)-;(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(2S)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(S)-1-Hydroxy-1,1-diphenyl-2-amino-3-methylbutane;(S)-2-Amino-1,1-diphenyl-3-methyl-1-butanol;(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol;(S)-2-Amino-3-methyl-1,1-diphenylbutanol;
Density:	1.074 g/cm³
Melting Point:	95-99 °C(lit.)
Boiling Point:	424.7 °C at 760 mmHg
Flash Point:	210.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.25000
LogP:	3.60610

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Specification

The (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol, with CAS registry number 78603-95-9, belongs to the following product category: Chiral Reagents. It has the systematic name of (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol. Besides this, it is also called Benzenemethanol, α-[(1S)-1-amino-2-methylpropyl]-α-phenyl-.

Physical properties of (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 12.47 Å²; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 78.65 cm³; (9)Molar Volume: 237.6 cm³; (10)Polarizability: 31.18×10^-24cm³; (11)Surface Tension: 43.3 dyne/cm; (12)Enthalpy of Vaporization: 71.6 kJ/mol; (13)Vapour Pressure: 5.73E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(c2ccccc2)[C@@H](N)C(C)C
(2)InChI: InChI=1/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
(3)InChIKey: LNQVZZGGOZBOQS-INIZCTEOBI
(4)Std. InChI: InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
(5)Std. InChIKey: LNQVZZGGOZBOQS-INIZCTEOSA-N