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Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-

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Name

Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-

EINECS N/A
CAS No. 515162-20-6 Density 1.06 g/cm3
PSA 32.50000 LogP 1.46880
Solubility N/A Melting Point N/A
Formula C13H21N3 Boiling Point 336.5 °C at 760 mmHg
Molecular Weight 219.33 Flash Point 155.1 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 37/38-41
Molecular Structure Molecular Structure of 515162-20-6 ([4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]METHYLAMINE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

(4-((4-Methylpiperazin-1-yl)methyl)phenyl)methanamine;1-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanamine;4-[(4-Methyl-1-piperazinyl)methyl]benzylamine;

Article Data 2

Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]- Specification

The Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-, with the CAS registry number 515162-20-6, is also known as [4-[(4-Methylpiperazin-1-yl)methyl]phenyl]methylamine. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C13H21N3 and molecular weight is 219.33. What's more, its systematic name is 1-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanamine.

Physical properties of Benzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]- are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 67.9 cm3; (15)Molar Volume: 206.8 cm3; (16)Polarizability: 26.92×10-24 cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 57.97 kJ/mol; (21)Boiling Point: 336.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000112 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to respiratory system and skin and has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should not empty it into drains.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc(c1)CN)CN2CCN(CC2)C
(2)InChI: InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
(3)InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N

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