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51325-91-8

Basic Information
CAS No.: 51325-91-8
Name: 4-(DICYANOMETHYLENE)-2-METHYL-6-(4-DIMETHYLAMINOSTYRYL)-4H-PYRAN
Article Data: 5
Molecular Structure:
Molecular Structure of 51325-91-8 (4-(DICYANOMETHYLENE)-2-METHYL-6-(4-DIMETHYLAMINOSTYRYL)-4H-PYRAN)
Formula: C19H17N3O
Molecular Weight: 303.363
Synonyms: 4H-Pyran-D4,a-malononitrile,2-(p-dimethylaminostyryl)-6-methyl- (6CI);Propanedinitrile,[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]- (9CI);4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;4-Dicyanomethylene-6-(p-dimethylaminostyryl)-2-methyl-4H-pyran;DCM;DCM (dye);DCM 1;NK 3502;
EINECS: 257-137-6
Density: 1.239 g/cm3
Melting Point: 215-220 °C(lit.)
Boiling Point: 446.875 °C at 760 mmHg
Flash Point: 224.062 °C
Appearance: red/brown crystals
Hazard Symbols: FlammableFHarmfulXn
Risk Codes: 11-20-36/37/38-20/21/22-10
Safety: 16-26-36-7/9-36/37
Transport Information: UN 3175 4.1/PG 2
PSA: 60.05000
LogP: 3.92746
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  • 51325-91-8            C19H17N3O            4-(DICYANOMETHYLENE)-2-METHYL-6-(4-DIMETHYLAMINOSTYRYL)-4H-PYRAN

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Specification

The 4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran, with cas registry number 51325-91-8, belongs to the following product categories: (1)electronic; (2)Electroluminescence; (3)Functional Materials. It has the systematic name of (2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-methyl-4H-pyran-4-ylidene)propanedinitrile. And its IUPAC name is 2-[2-[2-(4-dimethylaminophenyl)ethenyl]-6-methylpyran-4-ylidene] propanedinitrile.

Physical properties about this chemical are: (1)ACD/LogP: 6.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.723; (4)ACD/LogD (pH 7.4): 6.987; (5)ACD/BCF (pH 5.5): 65386.895; (6)ACD/BCF (pH 7.4): 119928.859; (7)ACD/KOC (pH 5.5): 81717.555; (8)ACD/KOC (pH 7.4): 149881.609; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.05 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 93.44 cm3; (15)Molar Volume: 244.821 cm3; (16)Polarizability: 37.042×10-24cm3; (17)Surface Tension: 64.625 dyne/cm; (18)Enthalpy of Vaporization: 70.511 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Firstly, the 4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Secondly, this chemical is flammable, so keep it away from sources of ignition. What's more,  keep its container tightly closed and in a well-ventilated place.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/c2ccc(cc2)N(C)C
(2)InChI: InChI=1/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+
(3)InChIKey: YLYPIBBGWLKELC-RMKNXTFCBR
(4)Std. InChI: InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+
(5)Std. InChIKey: YLYPIBBGWLKELC-RMKNXTFCSA-N