-
Name
N,N-dimethyl-2,2-diphenylbut-3-ynamide
- EINECS
- CAS No. 56767-15-8
- Density 1.095g/cm3
- Solubility
- Melting Point
- Formula C18H17NO
- Boiling Point 392.6°Cat760mmHg
- Molecular Weight 263.36
- Flash Point 174.8°C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne Chemical Properties
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:
3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne Safety Profile
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne 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
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