Basic information
- CAS
107-85-7- Standard SMILES
CC(C)CCN- InChIKey
BMFVGAAISNGQNM-UHFFFAOYSA-N- Molecular formula
- C5H13N
- Average molar mass
- 87.16 g/mol
- Monoisotopic mass
- 87.10479942
Names & identifiers
- Preferred name
- Isoamylamine
- IUPAC
- 3-methylbutan-1-amine
- English name
- Isoamylamine
- Molecular formula
- C5H13N
- Molecular weight
- 87.16
Names & synonyms
ISOAMYLAMINEIsopentylamine107-85-73-METHYLBUTAN-1-AMINE3-Methylbutylamine1-Amino-3-methylbutaneMonoisoamylamineLeucamineIsovalerylamine3-Methylbutanamine3-Methyl-1-butanamine1-Butanamine, 3-methyl-
Show more names
IAAFEMA 3219ISOAMYLAMINisobutyl isocyanide3-Methyl-1-butylamine
Monoisopentylaminegamma-IsoamylamineIsobutylcarbylamine3,3-DimethylpropylaminePropylamine, 3,3-dimethyl-FEMA No. 3219LPO0L33SHYNSC-7907
Database identifiers
- CAS
107-85-7- PubChem CID
- 7894
- DTXSID
DTXSID7059355- ChEMBL
CHEMBL42003- ChEBI
CHEBI:43689- UNII
- LPO0L33SHY
- EC Number
- 203-526-0
- Nikkaji
- J95.661I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25
Physicochemical properties
- Melting point
- -60 °C · -60 °C
- Boiling point
- 95 · 95-97 °C (lit.)
- Density
- 0.751 g/mL · 0.751 g/mL at 25 °C (lit.)
- vapor pressure
- 48 hPa · 48hPa at 20℃
- refractive index
- 20 · n20/D 1.408(lit.)
- FEMA
- 3219 · 3219 | ISOPENTYLAMINE
- FLAVIS Number
- 11.001 · 11.001 | 3-Methylbutylamine
- Flash point
- 65 °F · 65 °F
- storage temp.
- Flammables area
- Water Solubility
- Completely miscible in water
- solubility
- Chloroform, Methanol (Slightly)
- pka
- 10.6 · 10.6(at 25℃)
- form
- Liquid
- color
- Clear colorless
- Odor
- 0.1 % · at 0.10 % in propylene glycol. unpleasent ammonia
- Odor Type
- ammoniacal
- biological source
- synthetic
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,5112
- JECFA Number
- 1587 · 1587
- BRN
- 1209230 · 1209230
- Henry's Law Constant
- 3.2 · 3.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- Stability
- Volatile
- InChI
- 1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
- InChIKey
- BMFVGAAISNGQNM-UHFFFAOYSA-N
- SMILES
- CC(C)CCN
- LogP
- 0.139 at · 0.139 at 25℃
- CAS DataBase Reference
- 107 · 107-85-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- ISOPENTYLAMINE
- FDA UNII
- 0 L33SHY · LPO0L33SHY
- EPA Substance Registry System
- 1 · 1-Butanamine, 3-methyl- (107-85-7)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-22-34-20/22
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 1106 · UN 1106 3/PG 2
- WGK Germany
- 1 · 1
- F
- 34 · 34
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29211999 · 29211999
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3
- REACH Registrations
- Inactive
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- F
- 34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1106 3/PG 2
- hs_code
- 29211999
- risk_code
- 11-22-34-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H314-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
DescriptionIsopentylamine has an unpleasant ammoniacal odor. May be synthesized from isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.
OccurrenceReported found in rye ergot and in many botanical sources (Rosaceae, Saxifragaceae, Umbelliferae, Caprifoliaceae); also commonly found among the degradation products of proteins. Reported found in apple, banana, grapes, kale, rutabaga, tomato, wheat bread, cheeses, caviar, cooked beef and pork, hop oil, sherry, beer, red and white wine, cocoa, coffee, rhubarb and truffle.
UsesIsoamylamine is used in organic syntheses.
General DescriptionIsopentylamine is an aliphatic amine that is reported to occur in wine and eggs.
Preparation methods
PreparationFrom isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3.
Related reactions
335 records
Compound notes
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