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Propanedinitrile,2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]- (51325-91-8)

Identification
Name:Propanedinitrile,2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]-
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-(4-dimethylaminostyryl)-4H-pyran;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
CAS:51325-91-8
EINECS: 257-137-6
Molecular Formula: C19 H17 N3O
Molecular Weight: 303.36
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+
Molecular Structure: (C19H17N3O) 4H-Pyran-D4,a-malononitrile,2-(p-dimethylaminostyryl)-6-methyl- (6CI); Propanedinitrile,[2-[2-[4-(di...
Properties
Transport:UN 3175
Melting Point: 215-220 ºC (lit.)
Flash Point: 43 ºC
Boiling Point: 446.9°Cat760mmHg
Density:1.239
Refractive index:1.689
Appearance:red/brown crystals
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

Packinggroup: III
Flash Point: 43 ºC
Storage Temperature: Flammables area
Safety Data
Hazard Symbols F: Flammable Xn: Harmful
 

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