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| CAS No.: | 621-15-8 |
|---|---|
| Name: | N-Hexanoylaniline |
| Molecular Structure: | |
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| Formula: | C12H17NO |
| Molecular Weight: | 191.273 |
| Synonyms: | N-butylacetoanilide;N-Phenylcaproamide;2-butyl acetanilide;Hexanamide,N-phenyl;Hexanamide, N-phenyl-;N-phenylhexamide;Hexanilide;N-phenyl pentylamide;Caproic acid anilide;HEXANANILIDE; |
| Density: | 1.014g/cm3 |
| Melting Point: | 95°C |
| Boiling Point: | 351°Cat760mmHg |
| Flash Point: | 209.7°C |
| Hazard Symbols: | Moderately toxic by ingestion. |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 29.10000 |
| LogP: | 3.27840 |
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Chemistry
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
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. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
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) .