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N-Boc-D-alaninol

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Name

N-Boc-D-alaninol

EINECS
CAS No. 106391-86-0 Density 1.025 g/cm3
Solubility Melting Point 58-61 °C(lit.)
Formula C8H17NO3 Boiling Point 276.4 °C at 760 mmHg
Molecular Weight 175.2255 Flash Point 121 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 106391-86-0 (Carbamic acid,N-[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester) Hazard Symbols
Synonyms

Carbamicacid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (R)-;Carbamic acid,[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester (9CI);((1R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester;((R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester;(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol;(R)-2-(N-tert-Butoxycarbonyl)aminopropan-1-ol;(R)-2-(tert-Butoxycarbonylamino)-1-propanol;(R)-2-[(tert-Butyloxycarbonyl)amino]propan-1-ol;N-(tert-Butoxycarbonyl)-D-alaninol;tert-Butyl((1R)-2-hydroxy-1-methylethyl)carbamate;Boc-D-Ala-ol;

 

N-Boc-D-alaninol Specification

The Carbamic acid,N-[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester with the CAS number 106391-86-0 is also called Carbamicacid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (R)-. The systematic name is tert-butyl [(1R)-2-hydroxy-1-methylethyl]carbamate. Its molecular formula is C8H17NO3. This chemical belongs to the following product categories: (1)N-BOC; (2)Amino Acids; (3)Amino Alcohols; (4)Boc-Amino acid series. It should be stored at 0°C.

The properties of the Carbamic acid,N-[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.54; (6)ACD/BCF (pH 7.4): 2.54; (7)ACD/KOC (pH 5.5): 67.85; (8)ACD/KOC (pH 7.4): 67.85; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.56Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 45.94 cm3; (15)Molar Volume: 170.8 cm3; (16)Polarizability: 18.21×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 59.78 kJ/mol; (19)Vapour Pressure: 0.000597 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H](C)CO
(2)InChI: InChI=1/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
(3)InChIKey: PDAFIZPRSXHMCO-ZCFIWIBFBC

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