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161671-34-7

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Basic Information
CAS No.: 161671-34-7
Name: TERT-BUTYL (3R)-3-AMINO-3-PHENYLPROPANOATE
Article Data: 19
Molecular Structure:
Molecular Structure of 161671-34-7 (TERT-BUTYL (3R)-3-AMINO-3-PHENYLPROPANOATE)
Formula: C13H19NO2
Molecular Weight: 221.299
Synonyms: Benzenepropanoicacid, b-amino-, 1,1-dimethylethyl ester,(R)-;(R)-3-Amino-3-phenylpropionic acid tert-butyl ester;tert-Butyl(3R)-3-amino-3-phenylpropanoate;
Density: 1.04 g/cm3
Boiling Point: 318.7 °C at 760 mmHg
Flash Point: 170.6 °C
Solubility: Slightly soluble in Water
Appearance: Clear colorless to yellow slightly viscous liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 45-36/37/39-26
PSA: 52.32000
LogP: 3.11850
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Specification

The Benzenepropanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)-, with the CAS registry number 161671-34-7, is also known as (R)-3-Amino-3-phenylpropionic acid tert-butyl ester. This chemical's molecular formula is C13H19NO2 and molecular weight is 221.3. What's more, its systematic name is tert-Butyl (3R)-3-amino-3-phenylpropanoate and it should be sealed and stored in cool and dry places.

Physical properties of Benzenepropanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.23; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 36.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 64.24 cm3; (15)Molar Volume: 212.7 cm3; (16)Polarizability: 25.46×10-24 cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 56.03 kJ/mol; (21)Boiling Point: 318.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000354 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It causes burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, you shall seek medical advice immediately (show the label where possible). When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C[C@@H](N)c1ccccc1
(2)InChI: InChI=1/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m1/s1
(3)InChIKey: TYYCBAISLMKLMT-LLVKDONJSA-N