Acetamide,2-chloro-N-[4-(hexahydro-1H-azepin-1-yl)phenyl]- supplier

Name
N-(4-AZEPAN-1-YL-PHENYL)-2-CHLORO-ACETAMIDE
EINECS
CAS No. 436087-23-9
Density 1.191 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉ClN₂O
Boiling Point 473.4 °C at 760 mmHg
Molecular Weight 266.77
Flash Point 240.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms ZINC00299670;
PSA 32.34000
LogP 3.38230

Acetamide,2-chloro-N-[4-(hexahydro-1H-azepin-1-yl)phenyl]- Specification

The Acetamide,2-chloro-N-[4-(hexahydro-1H-azepin-1-yl)phenyl]-, with the CAS registry number 436087-23-9, is also known as ZINC00299670. This chemical's molecular formula is C₁₄H₁₉ClN₂O and molecular weight is 266.118591. Its IUPAC name is called N-[4-(azepan-1-yl)phenyl]-2-chloroacetamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Acetamide,2-chloro-N-[4-(hexahydro-1H-azepin-1-yl)phenyl]-: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 4.2; (5)ACD/BCF (pH 7.4): 74.03; (6)ACD/KOC (pH 5.5): 39.97; (7)ACD/KOC (pH 7.4): 704.42; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 74.8 cm³; (13)Molar Volume: 223.9 cm³; (14)Surface Tension: 48.7 dyne/cm; (15)Density: 1.191 g/cm³; (16)Flash Point: 240.1 °C; (17)Enthalpy of Vaporization: 73.66 kJ/mol; (18)Boiling Point: 473.4 °C at 760 mmHg; (19)Vapour Pressure: 3.94E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCl
(2)InChI: InChI=1S/C14H19ClN2O/c15-11-14(18)16-12-5-7-13(8-6-12)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)
(3)InChIKey: MGNASFRGYKAMPD-UHFFFAOYSA-N

Product Name

N-(4-AZEPAN-1-YL-PHENYL)-2-CHLORO-ACETAMIDE

Acetamide,2-chloro-N-[4-(hexahydro-1H-azepin-1-yl)phenyl]- Specification

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