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915707-55-0
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Basic Information
CAS No.: 915707-55-0
Name: [2-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol
Molecular Structure:
Molecular Structure of 915707-55-0 ([2-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol)
Formula: C13H20N2O
Molecular Weight: 220.3107
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
Density: 1.078 g/cm3
Boiling Point: 365.9 °C at 760 mmHg
Flash Point: 182.1 °C
Hazard Symbols: C
PSA: 26.71000
LogP: 1.32370
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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