Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester supplier

Name
BOC-MET-OL
EINECS
CAS No. 51372-93-1
Article Data23
CAS DataBase
Density 1.081 g/cm³
Solubility
Melting Point 48.0 to 52.0 °C
Formula C₁₀H₂₁NO₃S
Boiling Point 370.868 °C at 760 mmHg
Molecular Weight 235.348
Flash Point 178.095 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Carbamicacid, [(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [1-(hydroxymethyl)-3-(methylthio)propyl]-,1,1-dimethylethyl ester, (S)-;N-tert-Butyloxycarbonyl-L-methioninol;
PSA 83.86000
LogP 2.01600

Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester, with the CAS registry number 51372-93-1, has the systematic name of tert-butyl N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]carbamate. It belongs to the product categories of Amino Acid Derivatives and Amino Acids. And the molecular formula of the chemical is C₁₀H₂₁NO₃S. What's more, it should be stored at 0°C.

The characteristics of Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 197; (8)ACD/KOC (pH 7.4): 197; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 83.86 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 63.204 cm³; (15)Molar Volume: 217.801 cm³; (16)Polarizability: 25.056×10^-24cm³; (17)Surface Tension: 38.507 dyne/cm; (18)Density: 1.081 g/cm³; (19)Flash Point: 178.095 °C; (20)Enthalpy of Vaporization: 71.488 kJ/mol; (21)Boiling Point: 370.868 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC(CCSC)CO
(2)InChI: InChI=1/C10H21NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
(3)InChIKey: IPIBDQMAIDPJBU-QMMMGPOBBJ

Product Name

BOC-MET-OL

Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, 1,1-dimethylethyl ester Specification

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