Name: 2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid
SKU: 182287-51-0

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Basic Information

Molecular Structure:
CAS No.:	182287-51-0
Name:	2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid

Formula:	C₁₃H₂₃NO₅
Molecular Weight:	273.329
Synonyms:	2-[(tert-Butoxycarbonyl)amino]-3-(tetrahydropyran-4-yl)propionicacid;2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid;2-N-(tert-Butoxycarbonyl)amino-3-(4-tetrahydropyranyl)propionic acid;
EINECS:	200-456-8
Density:	1.1321 (rough estimate)
Boiling Point:	434.8 °C at 760 mmHg
Flash Point:	216.7 °C
Appearance:	white to off-white chunks
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	84.86000
LogP:	2.17190

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Specification

The CAS register number of 2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid is 182287-51-0. It also can be called as 2-N-(tert-Butoxycarbonyl)amino-3-(4-tetrahydropyranyl)propionic acid and the IUPAC name about this chemical is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoate. The molecular formula about this chemical is C₁₃H₂₃NO₅and molecular weight is 273.32.

Physical properties about 2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): -2.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 76.07Å²; (12)Flash Point: 216.7 °C; (13)Enthalpy of Vaporization: 75.76 kJ/mol; (14)Boiling Point: 434.8 °C at 760 mmHg; (15)Vapour Pressure: 8.92E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H](NC(=O)OC(C)(C)C)CC1CCOCC1
(2)InChI: InChI=1/C13H23NO5/c1-13(2,3)19-12(17)14-10(11(15)16)8-9-4-6-18-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/p-1/t10-/m1/s1
(3)InChIKey: NKYZORHKIYSSEL-MLQRIWEVBU
(4)Std. InChI: InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-10(11(15)16)8-9-4-6-18-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/p-1/t10-/m1/s1
(5)Std. InChIKey: NKYZORHKIYSSEL-SNVBAGLBSA-M