-
Name
2-amino-4-chloro-N-cyclopropylbenzamide
- EINECS
- CAS No. 63887-20-7
- Density 1.34 g/cm3
- Solubility
- Melting Point
- Formula C10H11ClN2O
- Boiling Point 395.1 °C at 760 mmHg
- Molecular Weight 210.663
- Flash Point 192.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-amino-4-chloro-N-cyclopropylbenzamide
- PSA 58.61000
- LogP 2.97040
Benzamide, 2-amino-4-chloro-N-cyclopropyl- 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. |
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- Benzamide, 2-amino-4-chloro-N-cyclopropyl-
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