Basic information
- CAS
71172-67-3- Standard SMILES
CCOC(CNCc1cccnc1)OCC- InChIKey
YXWKUCRKSMPHCE-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Overview
See also: (3-Pyridylmethylamino)-acetaldehyde diethyl acetal (annotation moved to).
Names & identifiers
- Preferred name
- 2,2-Diethoxy-n-(pyridin-3-ylmethyl)ethanamine
- IUPAC
- 2,2-diethoxy-N-(pyridin-3-ylmethyl)ethanamine
- English name
- (3-Pyridylmethylamino)-acetaldehyde diethyl acetal
- Molecular formula
- C12H20N2O2
- Molecular weight
- 224.3
Names & synonyms
71172-67-32,2-diethoxy-n-(pyridin-3-ylmethyl)ethanamineNSC73480SCHEMBL3590562DTXSID50291143NSC-73480AKOS0172753262,2-diethoxy-N-(3-pyridinylmethyl)ethanamine2,2-Diethoxy-N-[(pyridin-3-yl)methyl]ethan-1-amine2,2-diethoxy-N-(3-pyridylmethyl)ethanamine(2,2-Diethoxyethyl)(pyridin-3-ylmethyl)amine3-Pyridinemethanamine, N-(2,2-diethoxyethyl)-
Show more names
(3-Pyridylmethylamino)-acetaldehyde diethyl acetal
Database identifiers
- CAS
71172-67-3- PubChem CID
- 252152
- DTXSID
DTXSID50291143
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 313.3 · 313.3±32.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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