CAS No.103322-56-1,BOC-BETA-CYCLOHEXYL-L-ALANINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103322-56-1
Name:	BOC-BETA-CYCLOHEXYL-L-ALANINOL
Article Data:	12

Formula:	C₁₄H₂₇NO₃
Molecular Weight:	257.373
Synonyms:	Carbamicacid, [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethylester, (S)-;(S)-2-(tert-Butoxycarbonylamino)-3-cyclohexylpropan-1-ol;N-(tert-Butoxycarbonyl)-L-cyclohexylalaninol;Boc-beta-Cyclohexyl-L-alaninol;
Density:	1.016 g/cm³
Boiling Point:	385.436 °C at 760 mmHg
Flash Point:	186.905 °C
Appearance:	UN 3272
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	58.56000
LogP:	3.23330

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Specification

The systematic name of Carbamicacid, N-[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester is tert-butyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate. With the CAS registry number 103322-56-1, it is also named as Boc-beta-Cyclohexyl-L-alaninol. The product's categories are Amino Alcohols; Chiral Building Blocks; Organic Building Blocks. Besides, this chemical should be stored in tightly sealed container in a cool, dry place at -15 °C. And you should ensure that workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₁₄H₂₇NO₃ and its molecular weight is 257.37.

The other characteristics of Carbamicacid, N-[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 237; (6)ACD/BCF (pH 7.4): 237; (7)ACD/KOC (pH 5.5): 1742; (8)ACD/KOC (pH 7.4): 1742; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 71.623 cm³; (15)Molar Volume: 253.295 cm³; (16)Polarizability: 28.394×10^-24cm³; (17)Surface Tension: 37.062 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 186.905 °C; (20)Enthalpy of Vaporization: 73.35 kJ/mol; (21)Boiling Point: 385.436 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](CC1CCCCC1)CO
(2)InChI: InChI=1/C14H27NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
(3)InChIKey: BOJQBBXPSVGTQT-LBPRGKRZBV
(4)Std. InChI: InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
(5)Std. InChIKey: BOJQBBXPSVGTQT-LBPRGKRZSA-N