CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [Sigma-Aldrich MSDS] |
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Vapor Pressure | 0.03 [mmHg] |
Dissociation Constants | 10.5 |
Kovats Retention Index | 1285.1 |
Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 149.23 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 4 |
Exact Mass | 149.120449483 g/mol |
Monoisotopic Mass | 149.120449483 g/mol |
Topological Polar Surface Area | 26 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 84.9 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-phenylbutylamine is a phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. It is a phenylalkylamine, a primary amino compound and a member of benzenes.