Carbamic acid,N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester supplier

Name
N-BOC-D/L-ALANINOL
EINECS
CAS No. 147252-84-4
Article Data78
CAS DataBase
Density 1.025 g/cm³
Solubility
Melting Point 52-59 °C
Formula C₈H₁₇NO₃
Boiling Point 276.4 °C at 760 mmHg
Molecular Weight 175.228
Flash Point 121 °C
Transport Information
Appearance
Safety 45
Risk Codes 11-25
Molecular Structure
Hazard Symbols F,T
Synonyms (2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester;Carbamicacid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester (9CI);tert-Butyl (1-hydroxypropan-2-yl)carbamate;N-Boc-DL-2-amino-1-propanol;
PSA 58.56000
LogP 1.28280

Carbamic acid,N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, with the CAS registry number 147252-84-4, is also known as (2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester. It belongs to the product category of N-boc. This chemical's molecular formula is C₈H₁₇NO₃and molecular weight is 175.23. What's more, its systematic name is 5-(benzylamino)-1,3,4-thiadiazole-2(3H)-thione.

Physical properties of Carbamic acid,N-(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: 38.77 Å²; (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)Density: 1.025 g/cm³; (19)Flash Point: 121 °C; (20)Enthalpy of Vaporization: 59.78 kJ/mol; (21)Boiling Point: 276.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000597 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is toxic if swallowed. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

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

Product Name

N-BOC-D/L-ALANINOL

Carbamic acid,N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester Specification

Related Products

Hot Products