Name: 4'-DIMETHYLAMINOPHENYL ACETYLENE
SKU: 17573-94-3

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Basic Information

Molecular Structure:
CAS No.:	17573-94-3
Name:	4'-DIMETHYLAMINOPHENYL ACETYLENE
Article Data:	61

Formula:	C₁₀H₁₁N
Molecular Weight:	145.204
Synonyms:	Aniline,p-ethynyl-N,N-dimethyl- (8CI);(4-Ethynylphenyl)dimethylamine;1-(Dimethylamino)-4-ethynylbenzene;1-Ethynyl-4-(dimethylamino)benzene;4-(Dimethylamino)phenylethyne;4-Dimethylaminophenylacetylene;4-Ethynyl-N,N-dimethylaniline;4-Ethynyl-N,N-dimethylbenzenamine;4-Ethynylphenyl-N,N-dimethylamine;N-(4-Ethynylphenyl)-N,N-dimethylamine;[p-(Dimethylamino)phenyl]acetylene;p-Ethynyl-N,N-dimethylaniline;
Density:	0.989 g/cm³
Melting Point:	49-53 °C(lit.)
Boiling Point:	227.938 °C at 760 mmHg
Flash Point:	83.404 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-42/43
Safety:	26-36
PSA:	3.24000
LogP:	1.73390

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Specification

The Benzenamine,4-ethynyl-N,N-dimethyl-, with the CAS registry number 17573-94-3, has the systematic name of 4-ethynyl-N,N-dimethylaniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₁N.

The characteristics of Benzenamine,4-ethynyl-N,N-dimethyl- are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.23; (6)ACD/BCF (pH 7.4): 47.52; (7)ACD/KOC (pH 5.5): 548.61; (8)ACD/KOC (pH 7.4): 551.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 46.94 cm³; (15)Molar Volume: 146.8 cm³; (16)Polarizability: 18.61×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 46.45 kJ/mol; (21)Boiling Point: 227.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0754 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it may also cause sensitization by inhalation and skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#C)c1ccc(N(C)C)cc1
(2)InChI: InChI=1/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
(3)InChIKey: ZWMAYLMVFSCMMS-UHFFFAOYAB