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| Name |
Benzenemethanol,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- |
EINECS | N/A |
| CAS No. | 915707-55-0 | Density | 1.078 g/cm3 |
| PSA | 26.71000 | LogP | 1.32370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H20N2O | Boiling Point | 365.9 °C at 760 mmHg |
| Molecular Weight | 220.3107 | Flash Point | 182.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | C |
| Synonyms |
[2-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol;2-(4-Methylhomopiperazin-1-yl)benzyl alcohol;2-(4-Methylhomopiperazin-1-yl)benzyl alcohol 97%;[2-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol, 97+%;[2-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanol |
Benzenemethanol,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- Specification
The Benzenemethanol,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, with CAS registry number 915707-55-0, has the systematic name of [2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol. Besides this, it is also called 2-(4-Methylhomopiperazin-1-yl)benzyl alcohol. And the chemical formula of this chemical is C13H20N2O.
Physical properties of Benzenemethanol,2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.71 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 65.79 cm3; (9)Molar Volume: 204.3 cm3; (10)Polarizability: 26.08×10-24cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.078 g/cm3; (13)Flash Point: 182.1 °C; (14)Enthalpy of Vaporization: 64.6 kJ/mol; (15)Boiling Point: 365.9 °C at 760 mmHg; (16)Vapour Pressure: 5.36E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCCN(CC1)c2ccccc2CO
(2)InChI: InChI=1/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3
(3)InChIKey: IYBDLMFCIKDQDV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3
(5)Std. InChIKey: IYBDLMFCIKDQDV-UHFFFAOYSA-N
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