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151910-11-1

Basic Information
CAS No.: 151910-11-1
Name: (1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 151910-11-1 ((1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID)
Formula: C15H19NO4
Molecular Weight: 277.32
Synonyms: Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenyl-, (1S-trans)-;
Density: 1.22 g/cm3
Melting Point: 89-91 °C
Boiling Point: 450.3 °C at 760 mmHg
Flash Point: 226.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 75.63000
LogP: 2.91290
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    (1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID Basic information Product Name: (1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID Synonyms: (1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID;(1S,2R)-T-1-(BOC-AMINO)-2-PHEN

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    (1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACIDCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The (1S,2R)-1-[[(tert-Butoxy)carbonyl]amino]-2-phenylcyclopropanecarboxylic acid, with the CAS registry number 151910-11-1, is also known as (1S,2R)-trans-1-(Boc-amino)-2-phenylcyclopropanecarboxylic acid. This chemical's molecular formula is C15H19NO4 and molecular weight is 277.32. What's more, its systematic name is also called (1S,2R)-1-[(tert-Butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylic acid.

Physical properties about this chemical are: (1) ACD/LogP: 2.39; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.66; (4) ACD/LogD (pH 7.4): -0.12; (5) ACD/BCF (pH 5.5): 7.2; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 88.56; (8) ACD/KOC (pH 7.4): 1.45; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 55.84 Å2; (13) Index of Refraction: 1.564; (14) Molar Refractivity: 73.53 cm3; (15) Molar Volume: 225.8 cm3; (16) Surface Tension: 50.2 dyne/cm; (17) Density: 1.22 g/cm3; (18) Flash Point: 226.1 °C; (19) Enthalpy of Vaporization: 74.73 kJ/mol; (20) Boiling Point: 450.3 °C at 760 mmHg; (21) Vapour Pressure: 6.78E-09 mmHg at 25 °C; (22) Melting Point: 89-91 °C.

When you are dealing with (1S,2R)-1-[[(tert-Butoxy)carbonyl]amino]-2-phenylcyclopropanecarboxylic acid, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@]2(C(=O)O)[C@@H](c1ccccc1)C2
(2) InChI: InChI=1/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15+/m1/s1
(3) InChIKey: VMOVYASDUSWBOL-ABAIWWIYBY