1-Ethylpiperidin-4-amine

C₇H₁₆N₂CAS 50534-45-7128.22 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆N₂
Molar mass: 128.22 g/mol
Exact mass: 128.1313 Da
Boiling point: 73 °C (at 16 Torr)
logP: 0.43Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

50534-45-7

SMILES

CCN1CCC(N)CC1

InChIKey

UFETTXCVHFVMPU-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2/c1-2-9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3

Weigh it out

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

Names and synonyms

4 names

1-Ethyl-4-piperidinamine
4-Piperidinamine, 1-ethyl-
4-Amino-1-ethylpiperidine
(1-Ethylpiperidin-4-yl)amine

Work with 1-Ethylpiperidin-4-amine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Propylpiperidin-4-amine42389-59-363 % similar 1-Ethylpiperidin-4-ol3518-83-052 % similar 4-Amino-1-methylpiperidine41838-46-450 % similar 1,4-Diethylpiperazine6483-50-750 % similar 1-(3-Methoxypropyl)-4-piperidinamine179474-79-447 % similar 1-(1-Methylethyl)-4-piperidinamine127285-08-946 % similar 1-Ethylpyrrolidine7335-06-045 % similar N,N-Diethyl-1,4-pentanediamine140-80-745 % similar

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

Same formula

(1-Methylpiperidin-3-yl)methanamine14613-37-7 1-Propylpiperazine21867-64-1 (2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-7 (2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-9 1-Pyrrolidinepropanamine23159-07-1 2-Aminomethyl-1-ethylpyrrolidine26116-12-1 1-Piperidineethanamine27578-60-5 1-Ethylhomopiperazine3619-73-6

Elsewhere

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