CAS 26728-58-5 3-Methylbut-2-en-1-amine hydrochloride (HCID 18326564)

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Basic information

CAS: 26728-58-5
Standard SMILES: CC(C)=CCN.Cl
InChIKey: GBGNQLGJDQJQLJ-UHFFFAOYSA-N
Molecular formula: C5H12ClN
Average molar mass: 121.61 g/mol
Monoisotopic mass: 121.0658271

Names & identifiers

Preferred name: 3-Methylbut-2-en-1-amine hydrochloride
IUPAC: 3-methylbut-2-en-1-amine;hydrochloride
English name: 3-Methyl-2-butene-1-amine HCl
Molecular formula: C5H11N.ClH
Molecular weight: 121.61

Names & synonyms

3-methylbut-2-en-1-amine hydrochlorideRefChem:504158816-445-626728-58-53-METHYL-2-BUTENE-1-AMINE HCLMFCD001372923-methylbut-2-en-1-amine;hydrochloride3-methyl-2-butenylamine hydrochloride3-Methyl-2-buten-1-amine hydrochloride(3-methyl-2-butenyl)amine hydrochloride3-methyl-2-butene-1-amine hydrochlorideSCHEMBL709143

Show more names

DIMETHYLALLYLAMINE HCLN,N-Dimethylallylamine hydrochloride2-ISOPENTENYLAMINE HYDROCHLORIDE (iPA.HCl)2-Buten-1-amine,3-methyl-, hydrochloride (1:1)

orb19077623-Methylbut-2-en-1-amine HClDTXSID40949540TNU1242GBGNQLGJDQJQLJ-UHFFFAOYSA-N3,3-Dimethylallylamine hydrochlorideNSC1235123-methylbut-2-en-1-aminehydrochloride

Database identifiers

CAS: 26728-58-5
PubChem CID: 18326564
DTXSID: DTXSID40949540
EC Number: 816-445-6

Properties

Computed structural properties

Topological polar surface area: 26 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 51

Physicochemical properties

Melting point: 193 · 193-194 °C (decomp)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Chemistry & industry

Applications

Uses2-Isopentenylamine Hydrochloride is used in the preparation of N9-substituted N6-[(3-methylbut-2-en-1-yl)amino]purine derivatives for their biological activity in various cytokinin bioasays.