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CAS No.: | 709031-30-1 |
---|---|
Name: | Hydroxyl-adaMantyl-glycine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C12H19NO3 |
Molecular Weight: | 225.288 |
Synonyms: | Amino(3-hydroxyadamantan-1-yl)acetic acid; |
Density: | 1.409 g/cm3 |
Boiling Point: | 401.967 °C at 760 mmHg |
Flash Point: | 196.903 °C |
PSA: | 83.55000 |
LogP: | 1.42990 |
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The 3-Hydroxy adamantly glycine, with the CAS registry number 709031-30-1, is also known as Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-amino-3-hydroxy-. This chemical's molecular formula is C12H19NO3 and molecular weight is 225.2842. What's more, its systematic name is called Amino(3-hydroxyadamantan-1-yl)acetic acid.
Physical properties about 3-Hydroxy adamantly glycine are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 83.55 Å2; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 57.946 cm3; (13)Molar Volume: 159.857 cm3; (14)Surface Tension: 79.64 dyne/cm; (15)Density: 1.409 g/cm3; (16)Flash Point: 196.903 °C; (17)Enthalpy of Vaporization: 75.481 kJ/mol; (18)Boiling Point: 401.967 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C2CC3(CC1CC(C2)(C3)O)C(C(=O)O)N
(2) InChI: InChI=1/C12H19NO3/c13-9(10(14)15)11-2-7-1-8(3-11)5-12(16,4-7)6-11/h7-9,16H,1-6,13H2,(H,14,15)
(3) InChIKey: ZOFWFAZCJJJYCE-UHFFFAOYAY