(3S)-3-[[(tert-Butoxy)carbonyl]amino]-5-hexynoic acid supplier

Name
BOC-(S)-3-AMINO-5-HEXYNOIC ACID
EINECS
CAS No. 270596-47-9
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NO₄
Boiling Point 386.657 °C at 760 mmHg
Molecular Weight 227.26
Flash Point 187.644 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-5-hexynoic acid;
PSA 75.63000
LogP 1.76860

(3S)-3-[[(tert-Butoxy)carbonyl]amino]-5-hexynoic acid Chemical Properties

IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
Synonyms of (3S)-3-[(tert-Butoxycarbonyl)amino]hex-5-ynoic acid (CAS NO.270596-47-9): 5-Hexynoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
CAS NO: 270596-47-9
Molecular Formula: C₁₁H₁₇NO₄
Molecular Weight: 227.257
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 55.84 Å²
Index of Refraction: 1.485
Molar Refractivity: 57.69 cm³
Molar Volume: 201.2 cm³
Surface Tension: 43.1 dyne/cm
Density: 1.129 g/cm³
Flash Point: 187.6 °C
Enthalpy of Vaporization: 69.78 kJ/mol
Boiling Point: 386.7 °C at 760 mmHg
Vapour Pressure: 4.72E-07 mmHg at 25°C
SMILES: O=C(OC(C)(C)C)N[C@H](CC(=O)O)CC#C
InChI: InChI=1/C11H17NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey: QZRLAJLEZVWLOV-QMMMGPOBBZ
Std. InChI: InChI=1S/C11H17NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
Std. InChIKey: QZRLAJLEZVWLOV-QMMMGPOBSA-N

Product Name

BOC-(S)-3-AMINO-5-HEXYNOIC ACID

(3S)-3-[[(tert-Butoxy)carbonyl]amino]-5-hexynoic acid Chemical Properties

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