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

1-Benzyl-1,4-diazepane

Related Products

Hot Products

Name

1-Benzyl-1,4-diazepane

EINECS -0
CAS No. 4410-12-2 Density 1.004 g/cm3
PSA 15.27000 LogP 1.74860
Solubility N/A Melting Point 54-56 °C
Formula C12H18N2 Boiling Point 286.465 °C at 760 mmHg
Molecular Weight 190.288 Flash Point 116.22 °C
Transport Information UN 2735 Appearance colorless liquid.
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 4410-12-2 (1-BENZYL-1,4-DIAZEPANE) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

1H-1,4-Diazepine,hexahydro-1-(phenylmethyl)-;1H-1,4-Diazepine,1-benzylhexahydro- (7CI,8CI);1-Benzyl[1,4]diazepane;1-Benzylhexahydro-1,4-diazepine;1-Benzylhomopiperazine;N-Benzylhomopiperazine;NSC 179501;NSC 21234;

Article Data 3

1-Benzyl-1,4-diazepane Specification

The 1-Benzyl-1,4-diazepane, with the CAS registry number 4410-12-2, is also known as 1-Benzylhomopiperazine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H18N2 and molecular weight is 190.28. What's more, its systematic name is 1-Benzyl-1,4-diazepane. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of 1-Benzyl-1,4-diazepane are: (1)ACD/LogP: 1.404; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.27 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 59.14 cm3; (15)Molar Volume: 189.59 cm3; (16)Polarizability: 23.445×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 116.22 °C; (20)Enthalpy of Vaporization: 52.558 kJ/mol; (21)Boiling Point: 286.465 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)CN2CCCNCC2
(2)Std. InChI: InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
(3)Std. InChIKey: JTJTYCPQUOROFM-UHFFFAOYSA-N 

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 4410-12-2