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Name |
Benzo[a]pyren-7-amine |
EINECS | N/A |
CAS No. | 72297-05-3 | Density | 1.347 g/cm3 |
PSA | 26.02000 | LogP | 5.90060 |
Solubility | N/A | Melting Point |
203-204 ºC |
Formula | C20H13N | Boiling Point | 530 °C at 760 mmHg |
Molecular Weight | 267.33 | Flash Point | 306 °C |
Transport Information | N/A | Appearance | yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Aminobenzo[a]pyrene; |
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