N-Methylpiperidine
Properties
- Molecular formula
- C6H13N
- Molar mass
- 99.18 g/mol
- Exact mass
- 99.1048 Da
- Density
- 0.8142 g/mL (at 23 °C)
- Melting point
- 106–107 °C
- Boiling point
- 107 °C
- pKa
- 10.1
- logP
- 1.10Crippen estimate
- Polar surface area
- 3.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed41.6% of notifiers
- H302 Harmful if swallowed40.5% of notifiers
- H311 Toxic in contact with skin41.6% of notifiers
- H312 Harmful in contact with skin40.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage39.8% of notifiers
- H331 Toxic if inhaled40.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects40.9% of notifiers
Aggregated from 279 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
626-67-5SMILES
CN1CCCCC1InChIKey
PAMIQIKDUOTOBW-UHFFFAOYSA-NInChI
InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Piperidine, 1-methyl-
- 1-Methylpiperidine
Work with N-Methylpiperidine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Methylpyrrolidine120-94-592 % similar
1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane41203-22-971 % similar
N-Methyl-N-octyl-1-decanamine22020-14-071 % similar
Dioctadecylmethylamine4088-22-671 % similar
N-Methyl-N-octyl-1-octanamine4455-26-971 % similar
Didecylmethylamine7396-58-971 % similar
1,4-Dimethylpiperazine106-58-162 % similar
N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine3855-32-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds