N,N-Dimethylbutylamine
Basic information
- CAS
927-62-8- Standard SMILES
CCCCN(C)C- InChIKey
DJEQZVQFEPKLOY-UHFFFAOYSA-N- Molecular formula
- C6H15N
- Average molar mass
- 101.19 g/mol
- Monoisotopic mass
- 101.12044948
Overview
N,n-dimethyl-n-butylamine appears as a clear liquid with an ammonia-like odor. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.
Names & identifiers
- Preferred name
- N,N-Dimethylbutylamine
- IUPAC
- N,N-dimethylbutan-1-amine
- English name
- N,N-Dimethylaminobutane
- Molecular formula
- C6H15N
- Molecular weight
- 101.19
Names & synonyms
N,N-DimethylbutylamineDimethylbutylamineButyldimethylamineN-n-ButyldimethylamineN,N-dimethylbutan-1-amine1-Butanamine, N,N-dimethyl-N,N-Dimethyl-1-butanamineButylamine, N,N-dimethyl-n-C4H9N(CH3)2N,N-DIMETHYL-N-BUTYLAMINEAR 84996DTXSID8047472
Show more names
N,N-DimethylN-BUTYLDIMETHYLAMINEDIMETHYL-N-BUTYLAMINEar84996
UNII-O0BL4Z8J3HEINECS 213-156-1O0BL4Z8J3H1-(N,N-Dimethylamino)butanedimethyl(n-butyl)amineDTXCID6027472CHEBI:59023EC 213-156-1
Database identifiers
- CAS
927-62-8- PubChem CID
- 13563
- DTXSID
DTXSID8047472- ChEMBL
CHEMBL2448977- ChEBI
CHEBI:59023- UNII
- O0BL4Z8J3H
- EC Number
- 213-156-1
- Nikkaji
- J43.087K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 33.2
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.7
Density0.7206 @ 20°C
Boiling Point95 °C @760 [mm Hg]
Vapor Pressure45.5 [mmHg]
Physical Description
N,n-dimethyl-n-butylamine appears as a clear liquid with an ammonia-like odor. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.
Liquid
Clear liquid with an ammoniacal odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Dissociation Constants
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 169 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1-Butanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N,N-dimethylbutylamine (EC: 213-156-1)
1-Butanamine, N,N-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelCorrosive Flammable Liquid
Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Hazards Summary
A moderate eye irritant; Causes changes in motor activity and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] May cause skin and eye burns; Inhalation may cause respiratory tract irritation and pulmonary edema; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion; Highly toxic by inhalation; [Sigma-Aldrich MSDS]
Chemistry & industry
Uses & manufacturing
UsesUsed as a catalyst; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 88,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
Plastics Product Manufacturing
1-Butanamine, N,N-dimethyl-: ACTIVE
Applications
UsesDimethylbutylamine is used as a chemical intermediate.
UsesN,N-Dimethylaminobutane (cas# 927-62-8) is in preparation of high-density rigid flame-retardant polyimide foam material.
UsesN,N-Dimethylaminobutane is suitable for use in the fabrication of polystyrene-based nano-LC monolithic columns for the separation of protein molecules. It may be used as ion-pairing reagent in a study involving comparison of performance of six ion-pairing reagents as mobile phase modifiers for oligonucleotide LC/MS.
General DescriptionN,N-Dimethylaminobutane is a clear liquid with an ammonia-like odor. Flash point 20°F. Boiling point 201°F. Density 0.72 g / cm3. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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