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2H-1,5-Benzodioxepin-7-amine,3,4-dihydro-

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Name

2H-1,5-Benzodioxepin-7-amine,3,4-dihydro-

EINECS 604-604-1
CAS No. 175136-34-2 Density 1.193 g/cm3
PSA 44.48000 LogP 2.01130
Solubility Soluble in water. High soluble in ethanol, acetone. Melting Point 81 °C
Formula C9H11NO2 Boiling Point 307.4 °C at 760 mmHg
Molecular Weight 165.192 Flash Point 152.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175136-34-2 (3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-AMINE) Hazard Symbols IrritantXi
Synonyms

3,4-Dihydro-2H-1,5-benzodioxepin-7-amine;BUTTPARK 121\15-34;7-Amino-3,4-dihydro-2H-1,5-benzodioxepine;3,4-Trimethylenedioxyaniline;

Article Data 5

2H-1,5-Benzodioxepin-7-amine,3,4-dihydro- Specification

The CAS register number of 2H-1,5-Benzodioxepin-7-amine,3,4-dihydro- is 175136-34-2. It also can be called as 7-Amino-3,4-dihydro-2H-1,5-benzodioxepine and the IUPAC name about this chemical is 3,4-dihydro-2H-1,5-benzodioxepin-7-amine. The molecular formula about this chemical is C9H11NO2 and the molecular weight is 165.19.

Physical properties about 2H-1,5-Benzodioxepin-7-amine,3,4-dihydro- are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 2.69; (6)ACD/KOC (pH 5.5): 58.46; (7)ACD/KOC (pH 7.4): 70.68; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 45.87 cm3; (14)Molar Volume: 138.3 cm3; (15)Polarizability: 18.18x10-24cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 152.4 °C; (19)Enthalpy of Vaporization: 54.8 kJ/mol; (20)Boiling Point: 307.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000728 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. It is slightly hazardous to water. If no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCCC1)cc(N)cc2
(2)InChI: InChI=1/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2
(3)InChIKey: FVLCICVRAPEYNX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2
(5)Std. InChIKey: FVLCICVRAPEYNX-UHFFFAOYSA-N

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