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CAS No.: | 1927-25-9 |
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Name: | DL-Homoserine |
Article Data: | 39 |
Cas Database | |
Molecular Structure: | |
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Formula: | C4H9NO3 |
Molecular Weight: | 119.12 |
Synonyms: | Butyricacid, 2-amino-4-hydroxy-, DL- (8CI);DL-a-Amino-g-hydroxybutyricacid;NSC 37755;H-DL-HoSer-OH; |
EINECS: | 217-661-8 |
Density: | 1.312 g/cm3 |
Melting Point: | 188-189 °C |
Boiling Point: | 368.7 °C at 760 mmHg |
Flash Point: | 176.8 °C |
Solubility: | soluble in water |
Appearance: | off-white crystalline solid |
Safety: | 24/25 |
PSA: | 83.55000 |
LogP: | -0.51900 |
The Homoserine, with the CAS registry number 1927-25-9 and EINECS registry number 217-661-8, has the IUPAC name of 2-amino-4-hydroxybutanoic acid. It is a kind of off-white crystalline solid, and belongs to the following product categories: Serine [Ser, S]; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. And the molecular formula of the chemical is C4H9NO3. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Homoserine are as followings: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -3.64; (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: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 27.17 cm3; (15)Molar Volume: 90.7 cm3; (16)Polarizability: 10.77×10-24cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 71.22 kJ/mol; (21)Boiling Point: 368.7 °C at 760 mmHg; (22)Vapour Pressure: 6.16E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)CCO
(2)InChI: InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
(3)InChIKey: UKAUYVFTDYCKQA-UHFFFAOYAZ