Basic information
- CAS
1500008-67-2- Standard SMILES
CN(C)CCCOc1cnccc1CN- InChIKey
UTVASXIULPHJHS-UHFFFAOYSA-N- Molecular formula
- C11H19N3O
- Average molar mass
- 209.29 g/mol
- Monoisotopic mass
- 209.15281224
Names & identifiers
- Preferred name
- {3-[3-(Dimethylamino)propoxy]pyridin-4-yl}methanamine
- IUPAC
- 3-[[4-(aminomethyl)-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
Names & synonyms
1500008-67-2{3-[3-(dimethylamino)propoxy]pyridin-4-yl}methanamine(3-(3-(dimethylamino)propoxy)pyridin-4-yl)methanamineRefChem:399548882-466-23-[4-(aminomethyl)pyridin-3-yl]oxy-N,N-dimethylpropan-1-amine3-((4-(Aminomethyl)pyridin-3-yl)oxy)-N,N-dimethylpropan-1-aminestarbld0044279CHEMBL4517231AKC00867AKOS020335632EN300-214688
Database identifiers
- CAS
1500008-67-2- PubChem CID
- 81755152
- ChEMBL
CHEMBL4517231- EC Number
- 882-466-2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…