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63887-20-7

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Basic Information
CAS No.: 63887-20-7
Name: 2-amino-4-chloro-N-cyclopropylbenzamide
Molecular Structure:
Molecular Structure of 63887-20-7 (2-amino-4-chloro-N-cyclopropylbenzamide)
Formula: C10H11ClN2O
Molecular Weight: 210.663
Synonyms: 2-amino-4-chloro-N-cyclopropylbenzamide
Density: 1.34 g/cm3
Boiling Point: 395.1 °C at 760 mmHg
Flash Point: 192.8 °C
PSA: 58.61000
LogP: 2.97040
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Specification

The CAS registry number of Benzamide, 2-amino-4-chloro-N-cyclopropyl- is 63887-20-7. This chemical's molecular formula is C10H11ClN2O and molecular weight is 210.6601. What's more, both its IUPAC name and systematic name are the same which is called 2-amino-4-chloro-N-cyclopropylbenzamide.

Physical properties about Benzamide, 2-amino-4-chloro-N-cyclopropyl- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.6; (6)ACD/BCF (pH 7.4): 20.6; (7)ACD/KOC (pH 5.5): 303.45; (8)ACD/KOC (pH 7.4): 303.45; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12) Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 55.41 cm3; (15)Molar Volume: 156.9 cm3; (16)Polarizability: 21.96×10-24 cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 64.53 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(Cl)cc1)N)NC2CC2
(2)InChI: InChI=1/C10H11ClN2O/c11-6-1-4-8(9(12)5-6)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
(3)InChIKey: OSYHQZRVVFBTEP-UHFFFAOYAU

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 528, 1963.