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CAS No.: | 84803-67-8 |
---|---|
Name: | 3-Amino-5-acetyliminodibenzyl |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C16H16N2O |
Molecular Weight: | 252.316 |
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; |
EINECS: | 284-194-4 |
Density: | 1.21 g/cm3 |
Melting Point: | 142.0~153.0℃ |
Boiling Point: | 523.9 °C at 760 mmHg |
Flash Point: | 270.7 °C |
PSA: | 46.33000 |
LogP: | 3.69820 |
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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