Piperidine-3-methylamine
Basic information
- CAS
23099-21-0- Standard SMILES
NCC1CCCNC1- InChIKey
IPOVLZSJBYKHHU-UHFFFAOYSA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569846
Names & identifiers
- Preferred name
- Piperidine-3-methylamine
- IUPAC
- piperidin-3-ylmethanamine
- English name
- 3-Aminomethyl-piperidine
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
3-(AMINOMETHYL)PIPERIDINEPiperidine-3-methylamineEINECS 245-428-0RefChem:863585245-428-0piperidin-3-ylmethanamine23099-21-03-piperidinemethanamine3-aminomethylpiperidineMFCD034273441-(Piperidin-3-yl)methanamine3-(AMINOMETHYL)-1-PIPERIDINE
Show more names
Piperidin-3-ylmethaminePiperidine-3-methanamine(3-PIPERIDYL)-METHYLAMINE3-(Aminomethyl)piperidine >3-(Aminomethyl)-piperidine ,98%
3-Aminomethyl-piperidine(piperidin-3-yl)methanamine[(3R)-3-piperidyl]methanamineDTXSID70945777AS-44394CS-0171558EN300-295862rac.-3-aminom
Database identifiers
- CAS
23099-21-0- PubChem CID
- 90880
- DTXSID
DTXSID70945777- UNII
- DMZ5D9GA4J
- EC Number
- 245-428-0
- Nikkaji
- J318.402A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.5
Physicochemical properties
- Boiling point
- 89 °C/18mmHg · 89°C/18mmHg(lit.)
- Density
- 0.96 · 0.96
- refractive index
- 1.49 · 1.4900-1.4940
- Flash point
- 77 °C · 77°C(lit.)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- pka
- 10.12 · 10.12±0.10(Predicted)
- color
- Colorless to Almost colorless
- InChI
- 1S/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2
- InChIKey
- IPOVLZSJBYKHHU-UHFFFAOYSA-N
- SMILES
- NCC1CCCNC1
- CAS DataBase Reference
- 23099 · 23099-21-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
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
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- hs_code
- 2933399990
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H227-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
Loading…