[3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
Basic information
- CAS
227017-95-0- Standard SMILES
c1cc(CNCCCN2CCOCC2)ccn1- InChIKey
BWNMZQLUQBOZKU-UHFFFAOYSA-N- Molecular formula
- C13H21N3O
- Average molar mass
- 235.33 g/mol
- Monoisotopic mass
- 235.1684623
Names & identifiers
- Preferred name
- [3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
- IUPAC
- 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
- English name
- (3-MORPHOLIN-4-YL-PROPYL)-PYRIDIN-4-YLMETHYL-AMINE
- Molecular formula
- C13H21N3O
- Molecular weight
- 235.33
Names & synonyms
227017-95-0[3-(morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine(3-(morpholin-4-yl)propyl)((pyridin-4-yl)methyl)amineRefChem:399705998-063-0(3-Morpholin-4-yl-propyl)-pyridin-4-ylmethyl-amine3-Morpholino-N-(pyridin-4-ylmethyl)propan-1-amine[3-(morpholin-4-yl)propyl](pyridin-4-ylmethyl)amineMFCD014754193-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amineMLS000525329CHEMBL1720911
Show more names
4-Morpholinepropanamine, N-(4-pyridinylmethyl)-N-(3-MORPHOLIN-4-YLPROPYL)-N-(PYRIDIN-4-YLMETHYL)AMINE
HMS2356M22CJA01795STK510926AKOS000284880SMR000122203CS-0231854ST50021694EN300-12563
Database identifiers
- CAS
227017-95-0- PubChem CID
- 3152148
- ChEMBL
CHEMBL1720911- EC Number
- 998-063-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 382 · 382.0±37.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 8.15 · 8.15±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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