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35161-71-8 molecular structure
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methyl(prop-2-yn-1-yl)amine

ChemBase ID: 147153
Molecular Formular: C4H7N
Molecular Mass: 69.10508
Monoisotopic Mass: 69.05784923
SMILES and InChIs

SMILES:
CNCC#C
Canonical SMILES:
CNCC#C
InChI:
InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
InChIKey:
HQFYIDOMCULPIW-UHFFFAOYSA-N

Cite this record

CBID:147153 http://www.chembase.cn/molecule-147153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl(prop-2-yn-1-yl)amine
IUPAC Traditional name
2-propyn-1-amine, N-methyl-
Synonyms
3-Methylamino-1-propyne
N-Methylpropargylamine
3-Methylaminoprop-1-yne
Methyl(2-propynyl)amine
Methyl(propargyl)amine
N-(2-Propynyl)methylamine
N-Methyl-2-propyn-1-amine
N-Methyl-N-2-propynylamine
N-Methyl-N-propargylamine
NSC 56897
N-Methylpropargylamine
3-甲氨基-1-丙炔
N-甲基炔丙基胺
CAS Number
35161-71-8
EC Number
252-411-1
MDL Number
MFCD00008573
Beilstein Number
1071242
PubChem SID
24848850
162241344
24885859
PubChem CID
96160

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 96160 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0868108  LogD (pH = 7.4) -1.7930999 
Log P 0.035204574  Molar Refractivity 22.2736 cm3
Polarizability 8.539584 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
82-84 °C(lit.) expand Show data source
Flash Point
1 °C expand Show data source
33.8 °F expand Show data source
Density
0.819 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.432 expand Show data source
n20/D 1.432(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2733 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-34-37 expand Show data source
Safety Statements
9-16-26-33-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2733 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
rat ... Maoa(29253), Maob(25750) expand Show data source
Purity
≥90% (GC) expand Show data source
95% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤3% water expand Show data source
2-3% water expand Show data source
Linear Formula
HC≡CCH2NHCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 150223 external link
Application
Reacts with supercritical carbon dioxide to give 5-alkyidene oxazolidinones.1
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - M326535 external link
N-Methylpropargylamine is a metabolite of Pargyline. N-Methylpropargylamine, like other propynylamine, has inhibitory effect on monoamine oxidase.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Diehl, E. et al.: J. Phatmacol., 7, 563 (1976)
  • • Martin, Y.C. et al.: J. Med. Chem., 18, 883 (1976)
  • • Ali, A. et al.: J. Pharm. Pharmacol., 43, 750 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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