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CAS No.: | 101772-29-6 |
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Name: | BOC-N-ME-SER-OH |
Molecular Structure: | |
Formula: | C9H17NO5 |
Molecular Weight: | 219.238 |
Synonyms: | N-(tert-butoxycarbonyl)-N-methyl-L-serine;Boc-N-Me-Ser-OH;Boc-N-methyl-L-serine; |
EINECS: | 1533716-785-6 |
Density: | 1.215 g/cm3 |
Melting Point: | 83-87 °C |
Boiling Point: | 353.2 °C at 760 mmHg |
Flash Point: | 167.4 °C |
PSA: | 87.07000 |
LogP: | 0.29880 |
The Boc-N-Me-Ser-OH, with the CAS registry number 101772-29-6, has the systematic name of N-(tert-butoxycarbonyl)-N-methyl-L-serine. It belongs to the product category of N-Methyl Amino Acids. And the molecular formula of the chemical is C9H17NO5.
The characteristics of Boc-N-Me-Ser-OH are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -2.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 52.26 cm3; (15)Molar Volume: 180.3 cm3; (16)Polarizability: 20.71×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.215 g/cm3; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 69.25 kJ/mol; (21)Boiling Point: 353.2 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)[C@H](C(=O)O)CO
(2)InChI: InChI=1/C9H17NO5/c1-9(2,3)15-8(14)10(4)6(5-11)7(12)13/h6,11H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
(3)InChIKey: NJQGIDVCNBZXLG-LURJTMIEBV