CAS No.147252-84-4,N-BOC-D/L-ALANINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147252-84-4
Name:	N-BOC-D/L-ALANINOL
Article Data:	78

Formula:	C₈H₁₇NO₃
Molecular Weight:	175.228
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;
Density:	1.025 g/cm³
Melting Point:	52-59 °C
Boiling Point:	276.4 °C at 760 mmHg
Flash Point:	121 °C
Hazard Symbols:	F,T
Risk Codes:	11-25
Safety:	45
PSA:	58.56000
LogP:	1.28280

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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