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4959-17-5

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Basic Information
CAS No.: 4959-17-5
Name: 7-AMINOCLONAZEPAM
Article Data: 5
Molecular Structure:
Molecular Structure of 4959-17-5 (7-AMINOCLONAZEPAM)
Formula: C15H12ClN3O
Molecular Weight: 285.733
Synonyms: 2H-1,4-Benzodiazepin-2-one,7-amino-5-(o-chlorophenyl)-1,3-dihydro- (7CI,8CI);7-Amino-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one;7-Aminoclonazepam;Aminoclonazepam;Chloraminazepam;Ro 5-4619;
EINECS: 200-835-2
Density: 1.41 g/cm3
Melting Point: 226-228°C
Boiling Point: 523.5 °C at 760 mmHg
Flash Point: 270.4 °C
Hazard Symbols: F,Xn
Risk Codes: 11-20/21/22-36
Safety: 16-36/37-26
PSA: 67.48000
LogP: 2.86650
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Specification

The 7-Aminoclonazepam, with the CAS registry number 4959-17-5, is also known as 7-Aclz. It belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C15H12ClN3O and molecular weight is 285.73. Its IUPAC name is called 7-amino-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one. What's more, this chemical can be used as major metabolite of Clonazepam (C587080).

Physical properties of 7-Aminoclonazepam: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.05; (5)ACD/BCF (pH 7.4): 5.17; (6)ACD/KOC (pH 5.5): 110.11; (7)ACD/KOC (pH 7.4): 112.82; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 77.5 cm3; (13)Molar Volume: 201.3 cm3; (14)Surface Tension: 55.7 dyne/cm; (15)Density: 1.41 g/cm3; (16)Flash Point: 270.4 °C; (17)Enthalpy of Vaporization: 79.72 kJ/mol; (18)Boiling Point: 523.5 °C at 760 mmHg; (19)Vapour Pressure: 4.69E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3Cl
(2)InChI: InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
(3)InChIKey: HEFRPWRJTGLSSV-UHFFFAOYSA-N