Prop-1-yn-1-amine
Basic information
- CAS
2450-71-7- Standard SMILES
CC#CN- InChIKey
RTWCHRMHGXBETA-UHFFFAOYSA-N- Molecular formula
- C3H5N
- Average molar mass
- 55.08 g/mol
- Monoisotopic mass
- 55.04219916
Names & identifiers
- Preferred name
- Prop-1-yn-1-amine
- IUPAC
- prop-1-yn-1-amine
- English name
- Propargylamine
- Molecular formula
- C3H5N
- Molecular weight
- 55.08
Names & synonyms
propynylamineprop-1-yn-1-amine1-Propyn-1-aminemono-propargylamineEINECS 219-513-878982-47-5BRN 0773681SCHEMBL131527SCHEMBL131528SCHEMBL140982SCHEMBL2960246SCHEMBL5632709
Show more names
Prop-2-yn-1-amine2-PROPYNYLAMINE2-propyn-1-aminePOTASSIUM TER-BUTOXIDEPropargulaminePropargylaminProp-2-ynylamine2-PropynyLAlkyneaMine
RTWCHRMHGXBETA-UHFFFAOYSA-NAKOS006350300DB-3373974-04-00-01135 (Beilstein Handbook Reference)
Database identifiers
- CAS
2450-71-7- PubChem CID
- 17140
- Nikkaji
- J1.303.934H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 52.2
Physicochemical properties
- Boiling point
- 84 °C · 84 °C
- Density
- 0.86 · 0.86
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 39 °F · 39 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Liquid
- pka
- 7.89 · 7.89±0.29(Predicted)
- color
- Clear colorless to yellow
- Appearance
- Colorless volatile liquid
- Water Solubility
- miscible
- Sensitive
- Air Sensitive
- BRN
- 773681 · 773681
- Dielectric constant
- 6.65 · 6.6500000000000004
- InChI
- 1S/C3H5N/c1-2-3-4/h1H,3-4H2
- InChIKey
- JKANAVGODYYCQF-UHFFFAOYSA-N
- SMILES
- NCC#C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-8-10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UK5250000
- ridadr
- UN 1992 3/PG 2
- hs_code
- 29211990
- risk_code
- 11-22-24-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- F,T
- safety_code
- 16-26-33-36/37/39-45-28A
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302-H310-H314
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesA useful intermediates in the preparation of drugs or pesticides.
UsesPropargylamine is used in the synthesis of a chiral, a fluorescent macrocycle by 1,3-dipolar cycloaddition of propargyl amides of carbohydrate-linked amino acids and 9,10-bis(azidomethyl)anthracene. It acts as an intermediate in the production of drugs.
UsesSynthesis of a chiral, fluorescent macrocycle by 1,3-dipolar cycloaddition of propargyl amides of carbohydrate-linked amino acids and 9,10-bis(azidomethyl)anthracene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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