Nornicotine, N-formyl
Basic information
- CAS
3000-81-5- Standard SMILES
O=CN1CCCC1c1cccnc1- InChIKey
GQLSEYOOXBRDFZ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- Nornicotine, N-formyl
- IUPAC
- 2-pyridin-3-ylpyrrolidine-1-carbaldehyde
- English name
- N-FORMYLNORNICOTINE
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
Nornicotine, N-formylDTXSID30336006RefChem:1092591DTXCID402870953000-81-52-(pyridin-3-yl)pyrrolidine-1-carbaldehyde2-pyridin-3-ylpyrrolidine-1-carbaldehyde2-(3-pyridyl)pyrrolidine-1-carbaldehyde(S)-2-(Pyridin-3-yl)pyrrolidine-1-carbaldehydeorb3181866SCHEMBL29700231GQLSEYOOXBRDFZ-UHFFFAOYSA-N
Show more names
N-FORMYLNORNICOTINEN-FORMYL-2-[3-PYRIDYL]PYRROLIDINE2-Pyridin-3-yl-pyrrolidine-1-carbaldehyde2-(3-Pyridinyl)-1-pyrrolidinecarboxaldehyde1-Pyrrolidinecarboxaldehyde, 2-(3-pyridinyl)-
MFCD02683332MFCD20529977MSK162790AKOS014324174SB47750SB54315SY464170CS-0250220
Database identifiers
- CAS
3000-81-5- PubChem CID
- 528369
- DTXSID
DTXSID30336006- EC Number
- 863-545-0
- Nikkaji
- J2.369.535I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 206 °C · 206 °C(Press: 10 Torr)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- pka
- 5.16 · 5.16±0.12(Predicted)
- CAS DataBase Reference
- 3000 · 3000-81-5
- FDA UNII
- 6 G4ELX7A58 · 6G4ELX7A58
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…