3-Amino-5-acetyliminodibenzyl supplier

Name
3-Amino-5-acetyliminodibenzyl
EINECS 284-194-4
CAS No. 84803-67-8
Article Data1
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 142.0～153.0℃
Formula C₁₆H₁₆N₂O
Boiling Point 523.9 °C at 760 mmHg
Molecular Weight 252.316
Flash Point 270.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-Dibenz[b,f]azepin-3-amine,5-acetyl-10,11-dihydro- (9CI);5H-Dibenz[b,f]azepine, 5-acetyl-3-amino-10,11-dihydro-(7CI);5-Acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine;5-Acetyl-3-aminoiminodibenzyl;
PSA 46.33000
LogP 3.69820

3-Amino-5-acetyliminodibenzyl Specification

The IUPAC name of 3-Amino-5-acetyliminodibenzyl is 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone. With the CAS registry number 84803-67-8, it is also named as 5-Acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine. The product's categories are API Intermediates; (Intermediate of Chloroimipramine HCl). It is used as pharmaceutical intermediates. In addition, its molecular formula is C₁₆H₁₆N₂O and its molecular weight is 252.31.

The other characteristics of 3-Amino-5-acetyliminodibenzyl can be summarized as: (1)EINECS: 284-194-4; (2)ACD/LogP: 1.83; (3)# of Rule of 5 Violations: 0 ; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 23.55 Å²; (8)Index of Refraction: 1.643; (9)Molar Refractivity: 75.41 cm³; (10)Molar Volume: 208.4 cm³; (11)Polarizability: 29.89×10^-24cm³; (12)Surface Tension: 53.6 dyne/cm; (13)Density: 1.21 g/cm³; (14)Flash Point: 270.7 °C; (15)Enthalpy of Vaporization: 79.77 kJ/mol; (16)Boiling Point: 523.9 °C at 760 mmHg; (17)Vapour Pressure: 4.51E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N3c1ccccc1CCc2c3cc(N)cc2)C
(2)InChI: InChI=1/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3
(3)InChIKey: SEUMPHLDWPKWRO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3
(5)Std. InChIKey: SEUMPHLDWPKWRO-UHFFFAOYSA-N

Product Name

3-Amino-5-acetyliminodibenzyl

3-Amino-5-acetyliminodibenzyl Specification

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