Propargylamine

HCID 239041

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Basic information

CAS: 2450-71-7
Standard SMILES: C#CCN
InChIKey: JKANAVGODYYCQF-UHFFFAOYSA-N
Molecular formula: C3H5N
Average molar mass: 55.08 g/mol
Monoisotopic mass: 55.04219916

Names & identifiers

Preferred name: Propargylamine
IUPAC: prop-2-yn-1-amine

Names & synonyms

Propargylamine2450-71-72-Propyn-1-amineDTXSID30862951propinylamineRefChem:869620DTXCID50811648219-513-82-PROPYNYLAMINEprop-2-yn-1-amine3-Aminopropynepropargyl amine

Show more names

3-Amino-1-propyneProp-2-ynylamineMFCD000081983-Aminoprop-1-ynepropargylaminpro-pargylaminemonopropargylamineamino-2-propyne

Database identifiers

CAS: 2450-71-7
PubChem CID: 239041
DTXSID: DTXSID30862951
ChEMBL: CHEMBL3263480
EC Number: 219-513-8
Nikkaji: J3.030I

Properties

Computed structural propertiesFilling in

XLogP: -0.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 38

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (98.2%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H314 (92.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (64.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 168 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.