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56767-15-8

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Basic Information
CAS No.: 56767-15-8
Name: N,N-dimethyl-2,2-diphenylbut-3-ynamide
Molecular Structure:
Molecular Structure of 56767-15-8 (N,N-dimethyl-2,2-diphenylbut-3-ynamide)
Formula: C18H17NO
Molecular Weight: 263.36
Density: 1.095g/cm3
Boiling Point: 392.6°Cat760mmHg
Flash Point: 174.8°C
Safety: Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
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  • 3,3-DIPHENYL-3-DIMETHYLCARBAMOYL-1-PROPYNE

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    56767-15-8

    3,3-DIPHENYL-3-DIMETHYLCARBAMOYL-1-PROPYNE

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Chemistry

Product Name: 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne 
CAS Registry Number: 56767-15-8 
Synonyms: 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne ; N,N-Dimethyl-alpha-ethynyl-alpha-phenylbenzeneacetamide 
Systematic Name: Benzeneacetamide, N,N-dimethyl-alpha-ethynyl-alpha-phenyl- ; Benzeneacetamide, alpha-ethynyl-N,N-dimethyl-alpha-phenyl- 
IUPAC Name: N,N-dimethyl-2,2-diphenylbut-3-ynamide
Molecular Weight: 263.33368 [g/mol]
Molecular Formula: C18H17NO
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Surface Tension: 43.9 dyne/cm
Density: 1.095 g/cm3
Flash Point: 174.8 °C
Enthalpy of Vaporization: 64.24 kJ/mol
Boiling Point: 392.6 °C at 760 mmHg
Vapour Pressure: 2.26E-06 mmHg at 25°C 
Following is the molecular structure of 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne (CAS NO.56767-15-8) is:

Safety Profile

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

Descriptors computed from structure, you can know some information about 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne (CAS NO.56767-15-8) :
Canonical SMILES: CN(C)C(=O)C(C#C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1S/C18H17NO/c1-4-18(17(20)19(2)3,
15-11-7-5-8-12-15)16-13-9-6-10-14-16/h1,5-14H,2-3H3
InChIKey: QHVZDRXOVUJDMT-UHFFFAOYSA-N
Exact Mass: 263.131014
MonoIsotopic Mass: 263.131014
Topological Polar Surface Area: 20.3
Heavy Atom Count: 20