2-[(4-Aminopentyl)ethylamino]ethanol

C₉H₂₂N₂OCAS 69559-11-1174.29 g/mol

Open in Covalent MOL file

Alcohol Primary amine Tertiary amine

Properties

Molecular formula: C₉H₂₂N₂O
Molar mass: 174.29 g/mol
Exact mass: 174.1732 Da
Boiling point: 93 °C (at 0.6 Torr)
logP: 0.43Crippen estimate
Polar surface area: 49.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed58.8% of notifiers
H314 Causes severe skin burns and eye damage94.1% of notifiers
H332 Harmful if inhaled58.8% of notifiers
H412 Harmful to aquatic life with long lasting effects47.1% of notifiers
H413 May cause long lasting harmful effects to aquatic life11.8% of notifiers

Aggregated from 17 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

69559-11-1

SMILES

CCN(CCO)CCCC(C)N

InChIKey

XUVXSSOPXQRCGL-UHFFFAOYSA-N

InChI

InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Ethanol, 2-[(4-aminopentyl)ethylamino]-
(±)-2-[(4-Aminopentyl)ethylamino]ethanol
5-[N-Ethyl-N-(2-hydroxyethyl)amino]-2-aminopentane
N-Ethyl-N-(2-hydroxyethyl)-4-aminopentylamine
2-[(4-Aminopentyl)(ethyl)amino]ethan-1-ol
2-(4-Aminopentyl(ethyl)amino)ethanol

Work with 2-[(4-Aminopentyl)ethylamino]ethanol

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

N,N-Diethyl-1,4-pentanediamine140-80-773 % similar N-Ethyldiethanolamine139-87-755 % similar Diethylethanolamine100-37-850 % similar 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone74509-79-849 % similar (3R)-3-Amino-1-butanol61477-40-548 % similar 3-(Diethylamino)-1-propanol622-93-547 % similar 2-(Diethylamino)ethanol hydrochloride14426-20-145 % similar (R)-2-Aminohexane70095-40-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butoxybis(dimethylamino)methane5815-08-7

Elsewhere

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