Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1H-1,4-Diazepine,1-[(4-fluorophenyl)methyl]hexahydro-

Related Products

Hot Products

Name

1H-1,4-Diazepine,1-[(4-fluorophenyl)methyl]hexahydro-

EINECS N/A
CAS No. 76141-89-4 Density 1.074 g/cm3
PSA 15.27000 LogP 1.88770
Solubility N/A Melting Point 208-209 °C
Formula C12H17FN2 Boiling Point 291.7 °C at 760 mmHg
Molecular Weight 208.279 Flash Point 130.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 76141-89-4 (1-(4-FLUOROBENZYL)-1,4-DIAZEPANE) Hazard Symbols CorrosiveC
Synonyms

1-(4-Fluorobenzyl)-1,4-diazepane;1H-1,4-diazepine, 1-[(4-fluorophenyl)methyl]hexahydro-;

Article Data 2

1H-1,4-Diazepine,1-[(4-fluorophenyl)methyl]hexahydro- Specification

The 1H-1,4-Diazepine,1-[(4-fluorophenyl)methyl]hexahydro-, with the CAS registry number 76141-89-4, has the systematic nane of 1-(4-fluorobenzyl)-1,4-diazepane. It is a kind of corrosive chemical. And the molecular formula of the chemical is C12H17FN2.

The characteristics of 1H-1,4-Diazepine,1-[(4-fluorophenyl)methyl]hexahydro- are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -0.83; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 59.13 cm3; (15)Molar Volume: 193.7 cm3; (16)Polarizability: 23.44×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 130.2 °C; (20)Enthalpy of Vaporization: 53.11 kJ/mol; (21)Boiling Point: 291.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00192 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)CN2CCCNCC2
(2)InChI: InChI=1/C12H17FN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2
(3)InChIKey: KZCHYFUMQQWGJK-UHFFFAOYAH

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 76141-89-4