Propynamide

HCID 101445CAS 7341-96-0

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Basic information

Standard SMILES: C#CC(N)=O
InChIKey: HCJTYESURSHXNB-UHFFFAOYSA-N
Molecular formula: C3H3NO
Average molar mass: 69.06 g/mol
Monoisotopic mass: 69.02146372

Overview

Propynamide is a primary carboxamide, a ynamide and a terminal acetylenic compound. It is functionally related to a propynoic acid.

Names & identifiers

Preferred name: Propynamide
IUPAC: prop-2-ynamide
English name: PROPYNOIC ACID AMIDE
Molecular formula: C3H3NO
Molecular weight: 69.06

Names & synonyms

Propiolamideprop-2-ynamidePropynamide2-Propynamidepropiolic acid amideKW3KN5TM5FHC.$.CCONH2CHEBI:51764NSC-520954DTXSID50223641NSC 520954RefChem:176561

Show more names

HCequivCCONH2Propiolamide 97%2-Propynamide (9CI)Propunoic Acid Amide

DTXCID80146132694-582-9HCJTYESURSHXNB-UHFFFAOYSA-N7341-96-0PROPYNOIC ACID AMIDEMFCD04035573propargylamideUNII-KW3KN5TM5F

Database identifiers

CAS: 7341-96-0
PubChem CID: 101445
DTXSID: DTXSID50223641
ChEBI: CHEBI:51764
UNII: KW3KN5TM5F
EC Number: 694-582-9
Nikkaji: J471.575F

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 86.3

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 57 · 57-62 °C
Boiling point: 134.6 · 134.6±23.0 °C(Predicted)
Density: 1.102 · 1.102±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO, Methanol
pka: 13.48 · 13.48±0.50(Predicted)
form: Solid
color: Waxy Yellow
InChI: InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)
InChIKey: HCJTYESURSHXNB-UHFFFAOYSA-N
SMILES: C(N)(=O)C#C
CAS DataBase Reference: 7341 · 7341-96-0
FDA UNII: 3 KN5TM5F · KW3KN5TM5F
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38-36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
risk_code: 22-36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesPropiolamide (cas# 7341-96-0) is a compound useful in organic synthesis.

Upstream & downstream products

Upstream raw materials

Downstream products

PROPARGYLAMINE 3-Aminoisoxazole Cyanoacetylene ETHYL 6-HYDROXYPYRIDINE-2-CARBOXYLATE

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: Propynamide is a ynamide, a terminal acetylenic compound and a primary carboxamide. It is functionally related to a propynoic acid.