Basic information
- CAS
108-09-8- Standard SMILES
CC(C)CC(C)N- InChIKey
UNBMPKNTYKDYCG-UHFFFAOYSA-N- Molecular formula
- C6H15N
- Average molar mass
- 101.19 g/mol
- Monoisotopic mass
- 101.12044948
Overview
1,3-dimethylbutylamine appears as a liquid with a fishlike odor. Less dense than water. Flash point 39 - 55 °F. Vapors heavier than air. May be toxic by ingestion, inhalation and skin absorption.
Names & identifiers
- Preferred name
- 1,3-Dimethylbutylamine
- IUPAC
- 4-methylpentan-2-amine
- English name
- 1,3-Dimethylbutylamine
- Molecular formula
- C6H15N
- Molecular weight
- 101.19
Names & synonyms
1,3-DIMETHYLBUTYLAMINE108-09-82-Amino-4-methylpentane4-Methyl-2-aminopentane1,3-DimethylbutanamineButylamine, 1,3-dimethyl-1,3-Dimethyl butylamine4-amino-2-methylpentane4-amino-2-pentanamineDTXSID4025113KXP599H5R6NSC-48080
Show more names
RARECHEM AN KC 0202TIMTEC-BB SBB0066711,3-Dimethylbutylamin4-methyl-2-pentanamin4-Methyl-2-pentylamin1,3-dimethyl-butylamin4-Methyl-2-aminopentan4-Methyl-2-pentanamine
J35.117BDTXCID205113DL-1,3-DIMETHYLBUTYLAMINERefChem:72728203-549-64-methylpentan-2-amine2-Pentanamine, 4-methyl-(1,3-Dimethylbutyl)amine
Database identifiers
- CAS
108-09-8- PubChem CID
- 7908
- DTXSID
DTXSID4025113- ChEMBL
CHEMBL1447446
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.4
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
Density0.75 at 68 °F (NTP, 1992) - Less dense than water; will float
Flash Point55 °F (NTP, 1992)
Boiling Point223 to 228 °F at 760 mmHg (NTP, 1992)
Physical Description1,3-dimethylbutylamine appears as a liquid with a fishlike odor. Less dense than water. Flash point 39 - 55 °F. Vapors heavier than air. May be toxic by ingestion, inhalation and skin absorption.
Physicochemical properties
- Melting point
- -40.7 °C · -40.7°C (estimate)
- Boiling point
- 108 · 108-110 °C(lit.)
- Density
- 0.717 g/mL · 0.717 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4085(lit.)
- Flash point
- 55 °F · 55 °F
- storage temp.
- Flammables area
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
DOT ID and Guide2379 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
1,3-DIMETHYLBUTYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanamine, 4-methyl-: ACTIVE
Applications
Uses1,3-Dimethylbutylamine has been used to study the application of unfunctionized polymethacrylate resin (TSKgel G3000PWXL) as a stationary phase in liquid chromatography with UV detection.
General DescriptionA liquid with a fishlike odor. Less dense than water. Flash point 39 - 55°F. Vapors heavier than air. May be toxic by ingestion, inhalation and skin absorption.
Suppliers43 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]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
2 records
Compound notes
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