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4410-12-2

Basic Information
CAS No.: 4410-12-2
Name: 1H-1,4-Diazepine, hexahydro-1-(phenylmethyl)-
Molecular Structure:
Molecular Structure of 4410-12-2 (1H-1,4-Diazepine, hexahydro-1-(phenylmethyl)-)
Formula: C12H18N2
Molecular Weight: 190.28
Synonyms: 1H-1,4-Diazepine,hexahydro-1-(phenylmethyl)-;1H-1,4-Diazepine,1-benzylhexahydro- (7CI,8CI);1-Benzyl[1,4]diazepane;1-Benzylhexahydro-1,4-diazepine;1-Benzylhomopiperazine;N-Benzylhomopiperazine;NSC 179501;NSC 21234;
EINECS: -0
Density: 1.004 g/cm3
Melting Point: 54-56 °C
Boiling Point: 286.465 °C at 760 mmHg
Flash Point: 116.22 °C
Solubility:
Appearance: colorless liquid.
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36
Transport Information: UN 2735
PSA: 15.27000
LogP: 1.74860
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  • 1-Benzyl-1,4-diazepane

  • Casno:

    4410-12-2

    1-Benzyl-1,4-diazepane

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  • 1-Benzyl-1,4-Diazepane manufacturer

  • Casno:

    4410-12-2

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  • 1-BENZYL-1,4-DIAZEPANE

  • Casno:

    4410-12-2

    1-BENZYL-1,4-DIAZEPANE

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  • 1-Benzylhomopiperazine

  • Casno:

    4410-12-2

    1-Benzylhomopiperazine

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  • 1-Benzylhomopiperazine, 98%

  • Casno:

    4410-12-2

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  • 1-BENZYL-1,4-DIAZEPANE

  • Casno:

    4410-12-2

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  • 1-Benzylhomopiperazine

  • Casno:

    4410-12-2

    1-Benzylhomopiperazine

    Min.Order: 1 Kilogram

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Specification

The 1-Benzyl-1,4-diazepane, with the CAS registry number 4410-12-2, is also known as 1-Benzylhomopiperazine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H18N2 and molecular weight is 190.28. What's more, its systematic name is 1-Benzyl-1,4-diazepane. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of 1-Benzyl-1,4-diazepane are: (1)ACD/LogP: 1.404; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.27 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 59.14 cm3; (15)Molar Volume: 189.59 cm3; (16)Polarizability: 23.445×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 116.22 °C; (20)Enthalpy of Vaporization: 52.558 kJ/mol; (21)Boiling Point: 286.465 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)CN2CCCNCC2
(2)Std. InChI: InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
(3)Std. InChIKey: JTJTYCPQUOROFM-UHFFFAOYSA-N