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72297-05-3

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Basic Information
CAS No.: 72297-05-3
Name: 7-AMINOBENZO[A]PYRENE
Molecular Structure:
Molecular Structure of 72297-05-3 (7-AMINOBENZO[A]PYRENE)
Formula: C20H13N
Molecular Weight: 267.33
Synonyms: 7-Aminobenzo[a]pyrene;
Density: 1.347 g/cm3
Melting Point: 203-204 ºC
Boiling Point: 530 °C at 760 mmHg
Flash Point: 306 °C
Appearance: yellow solid
PSA: 26.02000
LogP: 5.90060
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Specification

The Benzo[a]pyren-7-amine, with the CAS registry number 72297-05-3, is also known as 7-Aminobenzo[a]pyrene. It belongs to the product categories of Chemical Amines; Amines; Aromatics. It is yellow solid. This chemical's molecular formula is C20H13N and molecular weight is 267.32392. What's more, its systematic name is Benzo[pqr]tetraphen-7-amine.

Physical properties about this chemical are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.12; (5)ACD/BCF (pH 5.5): 4458.91; (6)ACD/BCF (pH 7.4): 4578.91; (7)ACD/KOC (pH 5.5): 14138.1; (8)ACD/KOC (pH 7.4): 14518.57; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.931; (14)Molar Refractivity: 94.54 cm3; (15)Molar Volume: 198.3 cm3; (16)Polarizability: 37.47×10-24 cm3; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 306 °C; (20)Enthalpy of Vaporization: 80.52 kJ/mol; (21)Boiling Point: 530 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc5cccc1c5cc2ccc4cccc3ccc1c2c34
(2) InChI: InChI=1/C20H13N/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11H,21H2
(3) InChIKey: CYLGRLTVDYSTRG-UHFFFAOYAN