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83027-13-8

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Basic Information
CAS No.: 83027-13-8
Name: AMN082 DIHYDROCHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 83027-13-8 (AMN082 DIHYDROCHLORIDE)
Formula: C28H30Cl2N2
Molecular Weight: 392.544
Synonyms: 1,2-Ethanediamine,N,N'-bis(diphenylmethyl)- (9CI);N,N'-Bis(diphenylmethyl)ethylenediamine;
Boiling Point: 533.7 °C at 760 mmHg
Flash Point: 321.5 °C
PSA: 24.06000
LogP: 8.13060
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Specification

The 1,2-Ethanediamine,N1,N2-bis(diphenylmethyl)-, with the CAS registry number 83027-13-8, is also known as N,N'-Dibenzhydrylethane-1,2-diamine dihydrochloride. It belongs to the product categories of Glutamate Receptor; Glutamate. This chemical's molecular formula is C28H30Cl2N2 and molecular weight is 465.4572. What's more, its systematic name is called N,N'-Bis(diphenylmethyl)ethane-1,2-diamine dihydrochloride.

Physical properties about 1,2-Ethanediamine,N1,N2-bis(diphenylmethyl)- are: (1) ACD/LogP: 6.36; (2) # of Rule of 5 Violations: 1; (3) #H bond acceptors: 2; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 9; (6) Polar Surface Area: 6.48 Å2; (7) Flash Point: 321.5 °C; (8) Enthalpy of Vaporization: 80.97 kJ/mol; (9) Boiling Point: 533.7 °C at 760 mmHg; (10) Vapour PresC28H30Cl2N2sure: 1.82E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.N(CCNC(c1ccccc1)c2ccccc2)C(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H
(3) InChIKey: YRQCDCNQANSUPB-UHFFFAOYAH