1-Butanamine, 3-methyl-, hydrochloride (1:1)
Basic information
- CAS
541-23-1- Standard SMILES
CC(C)CCN.Cl- InChIKey
HOMVDRDAAUYWKL-UHFFFAOYSA-N- Molecular formula
- C5H14ClN
- Average molar mass
- 123.62 g/mol
- Monoisotopic mass
- 123.0814771
Names & identifiers
- Preferred name
- 1-Butanamine, 3-methyl-, hydrochloride (1:1)
- IUPAC
- 3-methylbutan-1-amine;hydrochloride
- English name
- 1-Amino-3-methylbutane hydrochloride
- Molecular formula
- C5H14ClN
- Molecular weight
- 123.62436
Names & synonyms
Isopentylamine hydrochloride541-23-1ISOAMYLAMINE HYDROCHLORIDEIsopentylammonium chlorideIsopentylamine, hydrochlorideTX9WUC0O2R1-Butanamine, 3-methyl-, hydrochlorideNSC-210908DTXSID302024391-BUTANAMINE, 3-METHYL-, HYDROCHLORIDE (1:1)RefChem:791563DTXCID80124930
Show more names
i-PentAClisoamylaminehydrochlorideisopentylammoniumchlorideisopentylamine,hydrochloride3-Methyl-butyl-ammoniumchloride3-Methyl-butylamine hydrochloride3-methyl-1-butanaminhydrochloride3-methyl-1-butanamine hydrochloride
1-Amino-3-methylbutane hydrochloride3-methylbutan-1-amine hydrochloride3-methylbutan-1-amine;hydrochlorideMFCD00050684ISOAMYLAMINE HCL, REAGUNII-TX9WUC0O2RNSC 210908Isopentylaminehydrochloride
Database identifiers
- CAS
541-23-1- PubChem CID
- 10922
- DTXSID
DTXSID30202439- UNII
- TX9WUC0O2R
- EC Number
- 625-673-3
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 25.1
Physicochemical properties
- Melting point
- 65 · 65-69 °C
- Flash point
- 65 °C · 65 °C
- solubility
- Soluble in water, ethanol, acetone, ether, and chloroform.
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 10.5 · 10.5
- color
- White to Almost white
- BRN
- 3947083 · 3947083
- InChI
- InChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H
- InChIKey
- HOMVDRDAAUYWKL-UHFFFAOYSA-N
- SMILES
- C(CN)C(C)C.Cl
- FDA UNII
- 9 WUC0O2R · TX9WUC0O2R
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- NT0200000
- hs_code
- 2921.19.6190
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-Amino-3-methylbutane hydrochloride is an amine compound with a weak base. It has been reported to be an inhibitor of fatty acid synthesis in the liver and heart. Its transport properties were investigated by means of a model system simulating blood flow through a capillary bed.
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Compound notes
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