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| CAS No.: | 5424-29-3 |
|---|---|
| Name: | ALPHA-METHYL-DL-SERINE |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C4H9NO3 |
| Molecular Weight: | 119.12 |
| Synonyms: | DL-Serine,2-methyl-;Serine, 2-methyl-, DL- (8CI);2-Amino-3-hydroxy-2-methylpropanoicacid;2-Amino-3-hydroxy-2-methylpropionic acid;2-Methyl-DL-serine;DL-2-Methylserine;DL-a-(Hydroxymethyl)alanine;DL-a-Methylserine;NSC 11203;NSC 12135;NSC 163492;a-Methyl-DL-serine;a-Methylserine; |
| EINECS: | 226-565-5 |
| Density: | 1.317 g/cm3 |
| Melting Point: | 253-263 °C |
| Boiling Point: | 345.8 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| Appearance: | White Powder |
| Safety: | 24/25 |
| PSA: | 83.55000 |
| LogP: | -0.51900 |
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- Total:24 Page 1 of 1 1
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Specification
The Serine, 2-methyl-, with the CAS registry number 5424-29-3 EINECS registry number 226-565-5, has the systematic name of 2-methylserine. It is a kind of white powder, and belongs to the following product categories: Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Amino Acids; I - Z; Modified Amino Acids. And the molecular formula of the chemical is C4H9NO3. What's more, it is a useful synthetic intermediate.
The characteristics of Serine, 2-methyl- are as followings: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -3.73; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 27.18 cm3; (15)Molar Volume: 90.4 cm3; (16)Polarizability: 10.77×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 162.9 °C; (20)Enthalpy of Vaporization: 68.32 kJ/mol; (21)Boiling Point: 345.8 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)(C)CO
(2)InChI: InChI=1/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
(3)InChIKey: CDUUKBXTEOFITR-UHFFFAOYAW