N-Boc-3-azetidineacetic acid supplier

Name
N-Boc-3-azetidine acetic acid
EINECS
CAS No. 183062-96-6
Article Data5
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point 118 °C
Formula C₁₀H₁₇NO₄
Boiling Point 341.628 °C at 760 mmHg
Molecular Weight 215.249
Flash Point 160.411 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms [1-(tert-Butoxycarbonyl)azetidin-3-yl]aceticacid;
PSA 66.84000
LogP 1.26590

N-Boc-3-azetidineacetic acid Specification

The 3-Azetidineacetic acid,1-[(1,1-dimethylethoxy)carbonyl]-, also known as , is an organic compound with the formula C₁₀H₁₇NO₄. With the CAS registry number 183062-96-6, its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Physical properties of 3-Azetidineacetic acid,1-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 53.108 cm³; (13)Molar Volume: 181.419 cm³; (14)Surface Tension: 44.752 dyne/cm; (15)Density: 1.186 g/cm³; (16)Flash Point: 160.411 °C; (17)Enthalpy of Vaporization: 64.322 kJ/mol; (18)Boiling Point: 341.628 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CC(C1)CC(=O)O
(2)InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
(3)InChIKey: VEFHUWJIRFTGRB-UHFFFAOYSA-N

Product Name

N-Boc-3-azetidine acetic acid

N-Boc-3-azetidineacetic acid Specification

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