Hexanamide

HCID 12332

Basic information

CAS
628-02-4
Standard SMILES
CCCCCC(N)=O
InChIKey
ALBYIUDWACNRRB-UHFFFAOYSA-N
Molecular formula
C6H13NO
Average molar mass
115.17 g/mol
Monoisotopic mass
115.09971404

Overview

Hexanamide appears as colorless crystals. (NTP, 1992)

Names & identifiers

Preferred name
Hexanamide
IUPAC
hexanamide
English name
HEXANAMIDE
Molecular formula
C6H13NO
Molecular weight
115.17

Names & synonyms

HEXANAMIDE628-02-4Capronamiden-Caproamiden-HexanamideCaproamideHexylamidecaproic amideNCI-C02142DTXSID6020696R0YX4OJ6TWCAPROMIDE
Show more names
HexamideHexoamide
NSC-8437DTXCID20696CHEBI:142683RefChem:146103211-024-8Hexanoamiden-Capronamiden-Caproic amide

Database identifiers

CAS
628-02-4
PubChem CID
12332
DTXSID
DTXSID6020696
ChEMBL
CHEMBL1523958
ChEBI
CHEBI:142683
UNII
R0YX4OJ6TW
EC Number
211-024-8
Nikkaji
J6.874H

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
8

Experimental & physicochemical properties

Chemical Classes · 2 items

Nitrogen Compounds -> Other Nitrogen Compounds

Industrial compound -> amide

SpringerMaterials PropertiesBoiling point
Density · 2 items

0.999 at 68 °F (NTP, 1992) - Less dense than water; will float

0.999 @ 20 °C/4 °C

Color/FormCRYSTALS FROM ACETONE
Solubility · 3 items

0.1 to 1 mg/mL at 59 °F (NTP, 1992)

Soluble in alcohol, ether, benzene, chloroform

SLIGHTLY SOL IN WATER

Boiling Point · 2 items

491 °F at 760 mmHg (NTP, 1992)

255 °C @ 760 mm Hg

Physicochemical properties

Melting point
100 · 100-102 °C(lit.)
Boiling point
215.49 °C · 215.49°C (rough estimate)
Density
0.999 · 0.9990
refractive index
1.42 · 1.4200 (estimate)
storage temp.
Store at room temperature
pka
16.76 · 16.76±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity Profile · 1 item

HEXANAMIDE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). Can react with mineral acids and bases. (NTP, 1992)

Air and Water ReactionsSlightly soluble in water.
Toxic Combustion ProductsWhen heated to decomposition it emits toxic fumes such as /nitrogen oxides/.

Safety & protection

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 2 items

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

REMOVAL OF ORGANIC CMPDS FROM SEWAGE EFFLUENT BY GRANULAR ACTIVATED CARBON FILTRATION.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicology

Ongoing Test Status · 1 item

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=628-02-4]

Non-Human Toxicity ExcerptsIN MALE MICE TREATED WITH 1.0 & 1.5% ORAL HEXANAMIDE SOLUTIONS, A CMPD-RELATED INCR IN MALIGNANT LYMPHOMAS WAS OBSERVED.
Antidote and Emergency Treatment · 2 items

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
MN7875000
hs_code
29241990
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

UsesUsed for organic synthesis; [NTP]
General Manufacturing InformationHexanamide: INACTIVE

Applications

UsesHexanoamide is the most rapidly hydrolysed substrate for amidase from Aspergillus nidulans. Zirconium mediated conversion of hexanoamide to hexanenitrile has been reported.

General DescriptionColorless crystals.

Suppliers68 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Additional notes

DefinitionChEBI: Hexanamide is a fatty amide of hexanoic acid. It is a primary carboxamide and a primary fatty amide. It is functionally related to a hexanoic acid.

Related reactions

9 records

Compound notes

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