1-Pyrrolidinepropanamine

C₇H₁₆N₂CAS 23159-07-1128.22 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
Melting point: 215–217 °C
Boiling point: 85–87 °C (at 26 Torr)
logP: 0.43Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed11.1% of notifiers
H314 Causes severe skin burns and eye damage88.9% of notifiers
H315 Causes skin irritation11.1% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 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+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

23159-07-1

SMILES

NCCCN1CCCC1

InChIKey

VPBWZBGZWHDNKL-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2

Weigh it out

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

Names and synonyms

8 names

3-Pyrrolidin-1-ylpropan-1-amine
3-Pyrrolidinopropanamine
Pyrrolidine, 1-(3-aminopropyl)-
1-(3-Aminopropyl)pyrrolidine
3-Pyrrolidinopropylamine
3-(1-Pyrrolidinyl)propylamine
N-(3-Aminopropyl)pyrrolidine
NSC 345670

Work with 1-Pyrrolidinepropanamine

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

3-(Azepan-1-yl)propan-1-amine3437-33-093 % similar Piperidine-1-propylamine3529-08-693 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-087 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-387 % similar 1-Pyrrolidineethanamine7154-73-675 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-967 % similar N1,N1-Dibutyl-1,3-propanediamine102-83-065 % similar 4-(3-Aminopropyl)morpholine123-00-265 % 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 2-Aminomethyl-1-ethylpyrrolidine26116-12-1 1-Piperidineethanamine27578-60-5 1-Ethylhomopiperazine3619-73-6 Isopropylpiperazine4318-42-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook