CAS 1346575-64-1 3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate (HCID 67124140)

Substructure search Find similar structures

Basic information

CAS: 1346575-64-1
Standard SMILES: CCCc1cc(C)[nH]c(=O)c1CN
InChIKey: JBKWKHWTUAUEFI-UHFFFAOYSA-N
Molecular formula: C10H16N2O
Average molar mass: 180.25 g/mol

Names & identifiers

Preferred name: 3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
IUPAC: 3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-one
English name: 2(1H)-Pyridinone, 3-(aMinoMethyl)-6-Methyl-4-propyl-
Molecular formula: C10H16N2O
Molecular weight: 180.25

Names & synonyms

1346575-64-1RefChem:4940993-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate810-554-23-(aminomethyl)-6-methyl-4-propylpyridin-2(1H)-one3-(aminomethyl)-6-methyl-4-propyl-2(1H)-pyridinoneMFCD225812882(1H)-Pyridinone, 3-(aminomethyl)-6-methyl-4-propyl-3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-oneSCHEMBL1694684SCHEMBL13281814JBKWKHWTUAUEFI-UHFFFAOYSA-N

Show more names

3-(aminomethyl)-6-methyl-4-propylpyridine-2(1H)-one3-(aMinoMethyl)-6-Methyl-4-propylpyridin-2(1H)-one acetate

AKOS027324923AC-37742DS-11565DB-347645CS-0106608C72377F5414603-aminomethyl-6-methyl-4-propyl-1H-pyridin-2-one

Database identifiers

CAS: 1346575-64-1
PubChem CID: 67124140
EC Number: 810-554-2

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 277

Physicochemical properties

Boiling point: 366.7 · 366.7±34.0 °C(Predicted)
Density: 1.01 · 1.010±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 12.4 · 12.40±0.10(Predicted)
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332-H319-H335
Precautionary statements: 260 · P260-P280-P312
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, P317, 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.