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N-Benzyloxycarbonyl-D-alaninol

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Name

N-Benzyloxycarbonyl-D-alaninol

EINECS
CAS No. 61425-27-2 Density 1.149g/cm3
Solubility Melting Point 82-84oC
Formula C11H15NO3 Boiling Point 375.2 °C at 760 mmHg
Molecular Weight 209.24 Flash Point 180.7 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 61425-27-2 (N-Benzyloxycarbonyl-D-alaninol) Hazard Symbols
Synonyms

Carbamicacid, (2-hydroxy-1-methylethyl)-, phenylmethyl ester, (R)-;Carbamic acid,[(1R)-2-hydroxy-1-methylethyl]-, phenylmethyl ester (9CI);(R)-2-Benzyloxycarbonylaminopropanol;Benzyl((1R)-2-hydroxy-1-methylethyl)carbamate;

 

N-Benzyloxycarbonyl-D-alaninol Specification

The N-Benzyloxycarbonyl-D-alaninol, with CAS registry number 61425-27-2, belongs to the following product categories: (1)Protected Amino Acid & Peptides; (2)Amino Acid Derivatives; (3)Amino Alcohols; (4)Peptide Synthesis. It has the systematic name of benzyl [(1R)-2-hydroxy-1-methylethyl]carbamate. And the chemical formula of this chemical is C11H15NO3.

Physical properties of N-Benzyloxycarbonyl-D-alaninol: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 56.56 cm3; (9)Molar Volume: 181.9 cm3; (10)Polarizability: 22.42×10-24cm3; (11)Surface Tension: 44.5 dyne/cm; (12)Density: 1.149 g/cm3; (13)Flash Point: 180.7 °C; (14)Enthalpy of Vaporization: 65.69 kJ/mol; (15)Boiling Point: 375.2 °C at 760 mmHg; (16)Vapour Pressure: 2.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@H](C)CO
(2)InChI: InChI=1/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1
(3)InChIKey: AFPHMHSLDRPUSM-SECBINFHBA
(4)Std. InChI: InChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1
(5)Std. InChIKey: AFPHMHSLDRPUSM-SECBINFHSA-N

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