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Benzenemethanol,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-

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Name

Benzenemethanol,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-

EINECS N/A
CAS No. 884507-50-0 Density 1.072 g/cm3
PSA 26.71000 LogP 1.19220
Solubility N/A Melting Point N/A
Formula C14H22N2O Boiling Point 357.6 °C at 760 mmHg
Molecular Weight 234.33728 Flash Point 165.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 884507-50-0 ({4-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]phenyl}methanol) Hazard Symbols CorrosiveC
Synonyms

{4-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]phenyl}methanol;4-(4-Methylhomopiperazin-1-yl)methylbenzyl alcohol

 

Benzenemethanol,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]- Specification

The Benzenemethanol,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]- is an organic compound with the formula C14H22N2O. The systematic name of this chemical is [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanol. With the CAS registry number 884507-50-0, it is also named as 4-(4-Methylhomopiperazin-1-yl)methylbenzyl alcohol.

Physical properties about Benzenemethanol,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]- are: (1)ACD/LogP: 0.49; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 26.71 Å2; (6)Index of Refraction: 1.558; (7)Molar Refractivity: 70.51 cm3; (8)Molar Volume: 218.4 cm3; (9)Polarizability: 27.95×10-24cm3; (10)Surface Tension: 43.9 dyne/cm; (11)Density: 1.072 g/cm3; (12)Flash Point: 165.7 °C; (13)Enthalpy of Vaporization: 63.62 kJ/mol; (14)Boiling Point: 357.6 °C at 760 mmHg; (15)Vapour Pressure: 9.82E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCCN(CC1)Cc2ccc(cc2)CO
(2)InChI: InChI=1/C14H22N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,17H,2,7-12H2,1H3
(3)InChIKey: YQUWAYPNHCWYNU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H22N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,17H,2,7-12H2,1H3
(5)Std. InChIKey: YQUWAYPNHCWYNU-UHFFFAOYSA-N

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