CAS No.69942-12-7,N-BOC-DL-SERINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69942-12-7
Name:	N-BOC-DL-SERINE
Article Data:	24

Formula:	C₉H₁₇NO₅
Molecular Weight:	219.238
Synonyms:	2-[(tert-Butoxycarbonyl)amino]-3-hydroxypropionic acid methyl ester;Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}serinate;N-Boc-DL-serine;
Density:	1.149 g/cm³
Boiling Point:	354.286 °C at 760 mmHg
Flash Point:	168.067 °C
PSA:	88.35000
LogP:	0.24940

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Specification

The N-Boc-DL-serine methyl ester, with the CAS registry number 69942-12-7, is also known as 2-[(tert-Butoxycarbonyl)amino]-3-hydroxypropionic acid methyl ester. This chemical's molecular formula is C₉H₁₇NO₅ and molecular weight is 219.24. What's more, its systematic name is Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}serinate.

Physical properties of N-Boc-DL-serine methyl ester are: (1)ACD/LogP: 0.163; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 29.22; (8)ACD/KOC (pH 7.4): 29.21; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.86 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 52.349 cm³; (15)Molar Volume: 190.807 cm³; (16)Polarizability: 20.753×10^-24cm³; (17)Surface Tension: 39.01 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 168.067 °C; (20)Enthalpy of Vaporization: 69.387 kJ/mol; (21)Boiling Point: 354.286 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)OC)CO
(2)Std. InChI: InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)
(3)Std. InChIKey: SANNKFASHWONFD-UHFFFAOYSA-N