N-3-Phenanthrylacetamide supplier

Name
N(3-PHENANTHRYL)ACETAMIDE
EINECS
CAS No. 4120-78-9
Article Data12
CAS DataBase
Density 1.233g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃NO
Boiling Point 506.9°C at 760 mmHg
Molecular Weight 235.30
Flash Point 302.8°C
Transport Information
Appearance
Safety Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide, N-3-phenanthrenyl-;N-Acetyl-phenanthrylamin-(3);3-Acetylaminophenanthren;3-Acetamidophenanthrene;N-3-phenanthrenyl-acetamide;3-Acetamino-phenanthren;3-Acetaminophenanthrene;ACETAMIDE,N-3-PHENANTHRYL;3-Acetylaminophenanthrene;N-(3-Phenanthryl)acetamide;Acetamide,N-3-phenanthrenyl;N-[3]Phenanthryl-acetamid;
PSA 29.10000
LogP 4.02440

N-3-Phenanthrylacetamide Chemical Properties

Molecule structure of N-3-Phenanthrylacetamide (CAS NO.4120-78-9):

IUPAC Name: N-Phenanthren-3-ylacetamide
Molecular Weight: 235.28052 g/mol
Molecular Formula: C₁₆H₁₃NO
Density: 1.233 g/cm³
Boiling Point: 506.9 °C at 760 mmHg
Flash Point: 302.8 °C
Index of Refraction: 1.73
Molar Refractivity: 76.2 cm³
Molar Volume: 190.7 cm³
Polarizability: 30.21×10^-24 cm³
Surface Tension: 54.6 dyne/cm
Enthalpy of Vaporization: 77.69 kJ/mol
Vapour Pressure: 2.12E-10 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 235.099714
MonoIsotopic Mass: 235.099714
Topological Polar Surface Area: 29.1
Heavy Atom Count: 18
Complexity: 314
Canonical SMILES: CC(=O)NC1=CC2=C(C=CC3=CC=CC=C32)C=C1
InChI: InChI=1S/C16H13NO/c1-11(18)17-14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3,(H,17,18)
InChIKey of N-3-Phenanthrylacetamide (CAS NO.4120-78-9): FSGXZFQZAIBEDS-UHFFFAOYSA-N

N-3-Phenanthrylacetamide Toxicity Data With Reference

orl-rat TDLo:4572 mg/kg/32W-C:CAR

CNREA8 Cancer Research. 15 (1955),188.

N-3-Phenanthrylacetamide Safety Profile

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

N-3-Phenanthrylacetamide Specification

N-3-Phenanthrylacetamide (CAS NO.4120-78-9) is also named as 3-Acetamidophenanthrene ; 3-Acetaminophenanthrene ; 3-Acetylaminophenanthrene ; 4-12-00-03442 (Beilstein Handbook Reference) ; BRN 2806961 ; N-3-Phenanthrenylacetamide ; NSC 141584 ; Acetamide, N-3-phenanthrenyl- (9CI) ; Acetamide, N-3-phenanthryl- .

Product Name

N(3-PHENANTHRYL)ACETAMIDE

N-3-Phenanthrylacetamide Chemical Properties

N-3-Phenanthrylacetamide Toxicity Data With Reference

N-3-Phenanthrylacetamide Safety Profile

N-3-Phenanthrylacetamide Specification

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