Name: CBZ-2-AMINO-2-FURANACETIC ACID
SKU: 61886-78-0

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Basic Information

Molecular Structure:
CAS No.:	61886-78-0
Name:	CBZ-2-AMINO-2-FURANACETIC ACID

Formula:	C₁₄H₁₃NO₅
Molecular Weight:	275.261
Synonyms:	2-Furanaceticacid, a-(carboxyamino)-, N-benzyl ester(7CI);Cbz-2-amino-2-furanacetic acid;2-(Benzyloxycarbonylamino)-2-(furan-2-yl)acetic acid;
Density:	1.333 g/cm³
Boiling Point:	455.1 °C at 760 mmHg
Flash Point:	229 °C
PSA:	88.77000
LogP:	2.72260

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Specification

The IUPAC name of Cbz-2-amino-2-furanacetic acid is 2-(furan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid. With the CAS registry number 61886-78-0, it is also named as 2-(Benzyloxycarbonylamino)-2-(furan-2-yl)acetic acid. The product's category is Pharmacetical. In addition, its molecular formula is C₁₄H₁₃NO₅ and molecular weight is 275.26.

The other characteristics of Cbz-2-amino-2-furanacetic acid can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.98 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 68.79 cm³; (15)Molar Volume: 206.4 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 229 °C; (19)Enthalpy of Vaporization: 75.32 kJ/mol; (20)Boiling Point: 455.1 °C at 760 mmHg; (21)Vapour Pressure: 4.49E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CO2)C(=O)O
(2)InChI: InChI=1S/C14H13NO5/c16-13(17)12(11-7-4-8-19-11)15-14(18)20-9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,15,18)(H,16,17)
(3)InChIKey: JKQGTYDVJBARBW-UHFFFAOYSA-N