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28148-54-1 molecular structure
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2-methylprop-2-en-1-amine hydrochloride

ChemBase ID: 90357
Molecular Formular: C4H10ClN
Molecular Mass: 107.5819
Monoisotopic Mass: 107.05017701
SMILES and InChIs

SMILES:
NCC(=C)C.Cl
Canonical SMILES:
CC(=C)CN.Cl
InChI:
InChI=1S/C4H9N.ClH/c1-4(2)3-5;/h1,3,5H2,2H3;1H
InChIKey:
IOXCSDPJYGPYFW-UHFFFAOYSA-N

Cite this record

CBID:90357 http://www.chembase.cn/molecule-90357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylprop-2-en-1-amine hydrochloride
IUPAC Traditional name
2-methylprop-2-en-1-amine hydrochloride
Synonyms
2-Methylprop-2-en-1-amine hydrochloride
2-Methylallylamine hydrochloride 98%
2-Methyl-2-propen-1-amine hydrochloride
2-Methylallylamine hydrochloride
2-甲基烯丙基胺 盐酸盐
CAS Number
28148-54-1
MDL Number
MFCD00012876
PubChem SID
24883003
162077172
PubChem CID
11953772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11953772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6532416  LogD (pH = 7.4) -1.8519697 
Log P 0.34915224  Molar Refractivity 23.3635 cm3
Polarizability 9.418702 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
179-184 °C(lit.) expand Show data source
Storage Warning
Irritant/Hygroscopic/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Linear Formula
H2C=C(CH3)CH2NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 639087 external link
Packaging
5 g in glass bottle
Application
Reactant for:
• Preparation of platinum cyclometalated N-heterocyclic carbene complexes with chiral phosphines as catalysts1
• Preparation of oxoazetidinylbutenyl acetamides via rhodium-catalyzed hydroformylation2
• Preparation of highly monodisperse polymeric particles incorporating polymerizable perylene-bisimide fluorophore3
• Additive-free chemoselective acylation with anhydrides for preparation of amides4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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