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76372-75-3

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Basic Information
CAS No.: 76372-75-3
Name: N N'-DIPENTYL-3 4 9 10-PERYLENEDICARBOX&
Article Data: 6
Molecular Structure:
Molecular Structure of 76372-75-3 (N N'-DIPENTYL-3 4 9 10-PERYLENEDICARBOX&)
Formula: C34H30N2O4
Molecular Weight: 530.61
Synonyms: N,N'-Bis(n-pentyl)-3,4:9,10-perylenebis(dicarboximide);N,N'-Dipentyl-3,4:9,10-perylenetetracarboxylic diimide;N,N'-Dipentylperylene-3,4:9,10-bis(dicarboximide);
Density: 1.337 g/cm3
Melting Point: >300 °C
Boiling Point: 734.1 °C at 760 mmHg
Flash Point: 321.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 78.14000
LogP: 6.34340
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Specification

The systematic name of N,N'-Dipentyl-3,4,9,10-perylenedicarboximide is 2,9-dipentylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone. With the CAS registry number 76372-75-3, it is also named as Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-dipentyl-. The product's category is Electronic. In addition, its molecular formula is C34H30N2O4 and its molecular weight is 530.61.

The other characteristics of N,N'-Dipentyl-3,4,9,10-perylenedicarboximide can be summarized as: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.12; (4)ACD/LogD (pH 7.4): 6.12; (5)ACD/BCF (pH 5.5): 26582.21; (6)ACD/BCF (pH 7.4): 26582.21; (7)ACD/KOC (pH 5.5): 51133.71; (8)ACD/KOC (pH 7.4): 51133.71; (9)H bond acceptors: 6; (10)H bond donors: 0; (11)Freely Rotating Bonds: 8; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 159.53 cm3; (15)Molar Volume: 396.5 cm3; (16)Polarizability: 63.24×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 321.8 °C; (20)Melting point: >300 °C; (21)Enthalpy of Vaporization: 107.12 kJ/mol; (22)Boiling Point: 734.1 °C at 760 mmHg; (23)Vapour Pressure: 2.06E-21 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C3c2ccc7c1c(ccc(c12)C(=O)N3CCCCC)c4ccc6c5c4c7ccc5C(=O)N(CCCCC)C6=O
(2)InChI:InChI=1/C34H30N2O4/c1-3-5-7-17-35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18-8-6-4-2)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-16H,3-8,17-18H2,1-2H3
(3)InChIKey:JNZZCMNXYAOLTO-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C34H30N2O4/c1-3-5-7-17-35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18-8-6-4-2)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-16H,3-8,17-18H2,1-2H3
(5)Std. InChIKey:JNZZCMNXYAOLTO-UHFFFAOYSA-N