CAS No.228857-58-7,1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	228857-58-7
Name:	1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)-
Article Data:	8

Formula:	C₉H₁₅NO₄
Molecular Weight:	201.222
Synonyms:	(R)-N-tert-Butoxycarbonylazetidine-2-carboxylicacid;
Density:	1.246 g/cm³
Boiling Point:	320.999 °C at 760 mmHg
Flash Point:	147.935 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.84000
LogP:	1.01830

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Specification

The 1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- is an organic compound with the formula C₉H₁₅NO₄. The systematic name of this chemical is (2R)-1-(tert-butoxycarbonyl)azetidine-2-carboxylic acid. With the CAS registry number 228857-58-7, it is also named as (R)-N-Boc-azetidine carboxylic acid.

Physical properties about 1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -2.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 48.32 cm³; (14)Molar Volume: 161.4 cm³; (15)Polarizability: 19.15×10^-24cm³; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.246 g/cm³; (18)Flash Point: 147.9 °C; (19)Enthalpy of Vaporization: 61.87 kJ/mol; (20)Boiling Point: 321 °C at 760 mmHg; (21)Vapour Pressure: 6.35E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)O)CC1
(2)InChI: InChI=1/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
(3)InChIKey: JWJVSDZKYYXDDN-ZCFIWIBFBB
(4)Std. InChI: InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
(5)Std. InChIKey: JWJVSDZKYYXDDN-ZCFIWIBFSA-N