1-Methylpyrrolidine

C₅H₁₁NCAS 120-94-585.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₁N
Molar mass: 85.15 g/mol
Exact mass: 85.0891 Da
Density: 1.045 g/mL (at 9.8 °C)
Melting point: 79 °C
Boiling point: 81 °C
pKa: 10.3
logP: 0.71Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed78.5% of notifiers
H302 Harmful if swallowed21.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage70.7% of notifiers
H332 Harmful if inhaled76.4% of notifiers
H411 Toxic to aquatic life with long lasting effects72.8% of notifiers

Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

120-94-5

SMILES

CN1CCCC1

InChIKey

AVFZOVWCLRSYKC-UHFFFAOYSA-N

InChI

InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

Pyrrolidine, 1-methyl-
N-Methylpyrrolidine
N-Methyltetrahydropyrrole
NSC 65579

Work with 1-Methylpyrrolidine

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

N-Methylpiperidine626-67-592 % similar 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane41203-22-977 % similar 1,4-Dimethylpiperazine106-58-167 % similar N-Methyl-N-octyl-1-decanamine22020-14-065 % similar Dioctadecylmethylamine4088-22-665 % similar N-Methyl-N-octyl-1-octanamine4455-26-965 % similar Didecylmethylamine7396-58-965 % similar N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine3855-32-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclopentylamine1003-03-8 Piperidine110-89-4 N,N-Dimethylallylamine2155-94-4 (2R)-2-Methylpyrrolidine41720-98-3 Cyclobutanemethanamine4415-83-2 (2S)-2-Methylpyrrolidine59335-84-1 2-Methylpyrrolidine765-38-8

Elsewhere

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