Basic information
- CAS
1247198-29-3- Standard SMILES
CN(Cc1cccnc1)CC1CCNC1- InChIKey
MTSQXKHRXWCBSI-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789762
Names & identifiers
- Preferred name
- Methyl(pyridin-3-ylmethyl)(pyrrolidin-3-ylmethyl)amine
- IUPAC
- N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
Names & synonyms
methyl(pyridin-3-ylmethyl)(pyrrolidin-3-ylmethyl)amine1247198-29-3methyl[(pyridin-3-yl)methyl][(pyrrolidin-3-yl)methyl]amineN-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamineCHEMBL4522560XZB19829AKOS011656356EN300-159030Z976738638N-methyl-1-(pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)methanamine
Database identifiers
- CAS
1247198-29-3- PubChem CID
- 62370366
- ChEMBL
CHEMBL4522560- EC Number
- 113-116-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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