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60662-64-8

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Basic Information
CAS No.: 60662-64-8
Name: ()-N-[N-(2-bromo-1-oxopropyl)glycyl]-glycine
Molecular Structure:
Molecular Structure of 60662-64-8 (()-N-[N-(2-bromo-1-oxopropyl)glycyl]-glycine)
Formula: C7H11BrN2O4
Molecular Weight: 267.079
Synonyms: Glycine,N-[N-(a-bromopropionyl)glycyl]- (4CI);
EINECS: 262-356-5
Density: 1.627 g/cm3
Boiling Point: 596 °C at 760 mmHg
Flash Point: 314.2 °C
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    ()-N-[N-(2-bromo-1-oxopropyl)glycyl]-glycine

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Specification

The Glycine, N-(2-bromo-1-oxopropyl)glycyl-, with the CAS registry number 60662-64-8, is also known as (±)-N-[N-(2-Bromo-1-oxopropyl)glycyl]-glycine. And its EINECS registry number is 262-356-5. This chemical's molecular formula is C7H11BrN2O4 and molecular weight is 267.0772. What's more, its systematic name is N-(2-Bromopropanoyl)glycylglycine.

Physical properties about Glycine, N-(2-bromo-1-oxopropyl)glycyl- are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 50.98 cm3; (15)Molar Volume: 164.1 cm3; (16)Polarizability: 20.21×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.627 g/cm3; (19)Flash Point: 314.2 °C; (20)Enthalpy of Vaporization: 96.99 kJ/mol; (21)Boiling Point: 596 °C at 760 mmHg; (22)Vapour Pressure: 9.61E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC(=O)O)CNC(=O)C(Br)C
(2) InChI: InChI=1/C7H11BrN2O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3H2,1H3,(H,9,11)(H,10,14)(H,12,13)
(3) InChIKey: XDBDRCFCQAKVQM-UHFFFAOYAM