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Molecule structure of N-(tert-Butoxycarbonyl)glycylglycine (CAS NO.31972-52-8):
IUPAC Name: 2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid
Molecular Formula: C9H16N2O5
Molecular Weight: 232.23374 [g/mol]
Index of Refraction: 1.483
Molar Refractivity: 54.26 cm3
Molar Volume: 190 cm3
Polarizability: 21.51×10-24cm3
Surface Tension: 45.2 dyne/cm
Density: 1.222 g/cm3
Storage temp.: -15°C
Flash Point: 249 °C
Enthalpy of Vaporization: 82.58 kJ/mol
Boiling Point: 488.1 °C at 760 mmHg
Vapour Pressure: 7.32E-11 mmHg at 25 °C
XLogP3-AA: -0.1
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 232.105922
MonoIsotopic Mass: 232.105922
Topological Polar Surface Area: 105
Heavy Atom Count: 16
Canonical SMILES: CC(C)(C)OC(=O)NCC(=O)NCC(=O)O
InChI: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-4-6(12)10-5-7(13)14/h4-5H2,1-3H3,(H,10,12)(H,11,15)(H,13,14)
InChIKey of N-(tert-Butoxycarbonyl)glycylglycine (CAS NO.31972-52-8): HWBAHOVOSOAFLE-UHFFFAOYSA-N
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
N-(tert-Butoxycarbonyl)glycylglycine (CAS NO.31972-52-8) is also named as N-(2-N-Boc-Amino-acetyl)-glycine ; (2-Tert-Butoxycarbonylaminoacetylamino)acetic acid ; 2-(2-(tert-butoxycarbonylamino)acetamido)acetic acid .