3-Pyridinemethanamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
3731-52-0- Standard SMILES
NCc1cccnc1- InChIKey
HDOUGSFASVGDCS-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.06874826
Overview
Picolamine is a small molecule drug. Picolamine has a monoisotopic molecular weight of 108.07 Da.
Names & identifiers
- Preferred name
- 3-Pyridinemethanamine
- IUPAC
- pyridin-3-ylmethanamine
- English name
- 3-(Aminomethyl)pyridine
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
3-(Aminomethyl)pyridine3731-52-0Picolamine3-PyridinemethanaminePicolaminaPyridine, 3-(aminomethyl)-PicolaminumDTXSID2044424NSC-5970631LA41942JDTXCID00244243-picolamine
Show more names
3AMPYNSC 59706Picolamin-Aminomethylm-PicolylamineAKOS BBS-000036793-Picolylamine>
RefChem:174159223-091-0pyridin-3-ylmethanamine3-Picolylamine3-Aminomethylpyridine3-Pyridylmethylamine1-(Pyridin-3-yl)methanamine3-pyridylmethanamine
Database identifiers
- CAS
3731-52-0- PubChem CID
- 31018
- DTXSID
DTXSID2044424- ChEMBL
CHEMBL1988272- UNII
- 31LA41942J
- EC Number
- 223-091-0
- Nikkaji
- J8.222H
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.5
Experimental & physicochemical properties
LogP-0.1
Collision Cross Section119.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2044424]
Physicochemical properties
- Melting point
- 21 °C · −21 °C(lit.)
- Boiling point
- 73 · 73-74 °C1 mm Hg(lit.)
- Density
- 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.551(lit.)
- Flash point
- 213 °F · 213 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Chloroform, Ethyl Acetate, Methanol
- pka
- 8.34 · 8.34±0.29(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
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
H290 (16%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 10-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32311
3-(Aminomethyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesMet. Corr. 1 (16%)
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Picolamine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29333999
- risk_code
- 34-37-36/37/38
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinemethanamine: ACTIVE
Applications
UsesIt finds its application as a rubefacient.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
904 records
Compound notes
Loading…