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284493-53-4

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Basic Information
CAS No.: 284493-53-4
Name: 3-(BOC-AMINO)-3-(3-METHOXYPHENYL)PROPIONIC ACID
Molecular Structure:
Molecular Structure of 284493-53-4 (3-(BOC-AMINO)-3-(3-METHOXYPHENYL)PROPIONIC ACID)
Formula: C15H21 N O5
Molecular Weight: 295.335
EINECS: -0
Density: 1.167 g/cm3
Melting Point: 81-83°C
Boiling Point: 458.5 °C at 760 mmHg
Flash Point: 231.1 °C
Appearance: white to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 84.86000
LogP: 3.12660
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Chemistry

Molecular Structure of 3-N-Boc-amino-3-(3-methoxyphenyl)propionic acid (CAS No.284493-53-4):
 
Molecular Formula: C15H21NO5 
Molecular Weight: 295.3309
CAS No: 284493-53-4
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 65.07 Å2
Index of Refraction: 1.522
Molar Refractivity: 77.18 cm3
Molar Volume: 253 cm3
Surface Tension: 42.8 dyne/cm
Density: 1.167 g/cm3
Flash Point: 231.1 °C
Enthalpy of Vaporization: 75.74 kJ/mol
Boiling Point: 458.5 °C at 760 mmHg
Vapour Pressure: 3.36E-09 mmHg at 25°C
Systematic Name: 3-[(tert-Butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid 
InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKey: DNXONWHJJNOKEU-UHFFFAOYAR
Std. InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
Std. InChIKey: DNXONWHJJNOKEU-UHFFFAOYSA-N
Product Categories: N-Protecting Reagents

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
HazardClass: IRRITANT

Specification

   3-N-Boc-amino-3-(3-methoxyphenyl)propionic acid (CAS No.284493-53-4), its synonyms are 3-[(tert-Butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid ; Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methoxy-  .