- (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
- (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride
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Cas Database |
| Name |
(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol |
EINECS | N/A |
| CAS No. | 78603-95-9 | Density | 1.074 g/cm3 |
| PSA | 46.25000 | LogP | 3.60610 |
| Solubility | N/A | Melting Point |
95-99 °C(lit.) |
| Formula | C17H21NO | Boiling Point | 424.7 °C at 760 mmHg |
| Molecular Weight | 255.36 | Flash Point | 210.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| 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; |
Article Data | 34 |
(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol 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
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