CAS 84200-07-7 4-Pyridinepropaneamide (HCID 3778233)

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Basic information

CAS: 84200-07-7
Standard SMILES: NC(=O)CCc1ccncc1
InChIKey: FLDCAFAKYCVBLK-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: 4-Pyridinepropaneamide
IUPAC: 3-pyridin-4-ylpropanamide
English name: 3-(4-Pyridyl)propanamide
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

84200-07-7DTXSID20879134RefChem:2960664-PYRIDINEPROPANEAMIDEDTXCID4010171513-(4-Pyridyl)propanamide3-(pyridin-4-yl)propanamide4-Pyridinepropanamide3-pyridin-4-ylpropanamideMFCD009562483-(4-Pyridinyl)propanamide3-(4-pyridyl)-propionamide

Show more names

SCHEMBL660683SCHEMBL3087230SCHEMBL4662980SCHEMBL10002469FLDCAFAKYCVBLK-UHFFFAOYSA-N3-(4-pyridyl)propanoic acid amideJDA20007AC6902

Database identifiers

CAS: 84200-07-7
PubChem CID: 3778233
DTXSID: DTXSID20879134
EC Number: 172-440-2
Nikkaji: J1.589.168H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 56 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

LogP-0.25

Physicochemical properties

Melting point: 165 · 165-166 °C
Boiling point: 385.8 · 385.8±25.0 °C(Predicted)
Density: 1.131 · 1.131±0.06 g/cm3(Predicted)
pka: 16.25 · 16.25±0.40(Predicted)
HS Code: 2933399990 · 2933399990

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.