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Cas Database |
| Name |
N-(n-Hexanoyl)aniline |
EINECS | N/A |
| CAS No. | 621-15-8 | Density | 1.014g/cm3 |
| PSA | 29.10000 | LogP | 3.27840 |
| Solubility | N/A | Melting Point |
95°C |
| Formula | C12H17NO | Boiling Point | 351°Cat760mmHg |
| Molecular Weight | 191.273 | Flash Point | 209.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
N-butylacetoanilide;N-Phenylcaproamide;2-butyl acetanilide;Hexanamide,N-phenyl;Hexanamide, N-phenyl-;N-phenylhexamide;Hexanilide;N-phenyl pentylamide;Caproic acid anilide;HEXANANILIDE; |
Article Data | 49 |
N-(n-Hexanoyl)aniline Chemical Properties
Product Name: N-(n-Hexanoyl)aniline (CAS NO.621-15-8)
Molecular Formula: C12H17NO
Molecular Weight: 191.30g/mol
Mol File: 621-15-8.mol
Boiling point: 351 °C at 760 mmHg
Flash Point: 209.7 °C
Density: 1.014 g/cm3
Surface Tension: 38.6 dyne/cm
Enthalpy of Vaporization: 59.57 kJ/mol
Vapour Pressure: 4.22E-05 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of N-(n-Hexanoyl)aniline (CAS NO.621-15-8):
IUPAC Name: N-phenylhexanamide
Canonical SMILES: CCCCCC(=O)NC1=CC=CC=C1
InChI: InChI=1S/C12H17NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,13,14)
InChIKey: JBTCHCWUNMZNEO-UHFFFAOYSA-N
N-(n-Hexanoyl)aniline Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2510mg/kg (2510mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971. |
N-(n-Hexanoyl)aniline Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
N-(n-Hexanoyl)aniline Specification
N-(n-Hexanoyl)aniline ,its CAS NO. is 621-15-8,the synonyms is 4-12-00-00392 (Beilstein Handbook Reference) ; AI3-01347 ; BRN 2414417 ; Caproic acid anilide ; Hexanilide ; N-Phenylhexanamide ; NSC 1498 ; Hexanamide, N-phenyl- (9CI) .
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