3-(4-Methyl-1-piperazine)propan-1-ol supplier

Name
1-(3-HYDROXYPROPYL)-4-METHYLPIPERAZINE
EINECS 226-177-6
CAS No. 5317-33-9
Article Data33
CAS DataBase
Density 0.988 g/cm³
Solubility
Melting Point 30 °C
Formula C₈H₁₈N₂O
Boiling Point 252.8 °C at 760 mmHg
Molecular Weight 158.244
Flash Point 111.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(3-Hydroxypropyl)-4-methylpiperazine;1-Methyl-4-(3-hydroxypropyl)piperazine;3-(4-Methyl-1-piperazinyl)-1-propanol;3-(4-Methyl-1-piperazinyl)propanol;4-Methyl-1-piperazinepropanol;NSC 351986;NSC 79874;
PSA 26.71000
LogP -0.50800

3-(4-Methyl-1-piperazine)propan-1-ol Specification

The IUPAC name of 1-(3-Hydroxypropyl)-4-methylpiperazine is 3-(4-methylpiperazin-1-yl)propan-1-ol. With the CAS registry number 5317-33-9, it is also named as N-Methyl-N'-(3 hydroxylpropyl) piperazine. The product's categories are Piperidine; Pharmacetical; Piperazines. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₈H₁₈N₂O and molecular weight is 158.24.

The other characteristics of 1-(3-Hydroxypropyl)-4-methylpiperazine can be summarized as: (1)EINECS: 226-177-6; (2)ACD/LogP: -1.47; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.9; (5)ACD/LogD (pH 7.4): -2.19; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 15.71 Å²; (14)Index of Refraction: 1.483; (15)Molar Refractivity: 45.78 cm³; (16)Molar Volume: 160.1 cm³; (17)Polarizability: 18.14×10^-24cm³; (18)Surface Tension: 35.3 dyne/cm; (19)Density: 0.988 g/cm³; (20)Flash Point: 111.6 °C; (21)Enthalpy of Vaporization: 56.95 kJ/mol; (22)Boiling Point: 252.8 °C at 760 mmHg; (23)Vapour Pressure: 0.00294 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OCCCN1CCN(CC1)C
(2)InChI: InChI=1/C8H18N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h11H,2-8H2,1H3
(3)InChIKey: JKRSQNBRNIYETC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H18N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h11H,2-8H2,1H3
(5)Std. InChIKey: JKRSQNBRNIYETC-UHFFFAOYSA-N

Product Name

1-(3-HYDROXYPROPYL)-4-METHYLPIPERAZINE

3-(4-Methyl-1-piperazine)propan-1-ol Specification

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