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85117-72-2

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Basic Information
CAS No.: 85117-72-2
Name: 2-amino-N-(2-bromoethyl)benzamide
Molecular Structure:
Molecular Structure of 85117-72-2 (2-amino-N-(2-bromoethyl)benzamide)
Formula: C9H11BrN2O
Molecular Weight: 243.10044
Synonyms: 2-amino-N-(2-bromoethyl)benzamide;Einecs 285-621-7
EINECS: 285-621-7
Density: 1.502 g/cm3
Boiling Point: 415.4 °C at 760 mmHg
Flash Point: 205 °C
PSA: 58.61000
LogP: 2.54950
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Specification

The CAS registry number of Benzamide,2-amino-N-(2-bromoethyl)- is 85117-72-2. Its EINECS registry number is 285-621-7. This chemical's molecular formula is C9H11BrN2O and molecular weight is 243.10044. What's more, both its IUPAC name and systematic name are the same which is called 2-Amino-N-(2-bromoethyl)benzamide.

Physical properties about Benzamide,2-amino-N-(2-bromoethyl)- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.61; (6)ACD/BCF (pH 7.4): 9.61; (7)ACD/KOC (pH 5.5): 175.8; (8)ACD/KOC (pH 7.4): 175.83; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 56.47 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 22.38×10-24 cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.502 g/cm3; (19)Flash Point: 205 °C; (20)Enthalpy of Vaporization: 66.85 kJ/mol; (21)Boiling Point: 415.4 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1N)NCCBr
(2)InChI: InChI=1/C9H11BrN2O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,11H2,(H,12,13)
(3)InChIKey: NOTMJIDCESLOQT-UHFFFAOYAP