4-(Isopropylamino)butanol

C₇H₁₇NOCAS 42042-71-7131.22 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₇H₁₇NO
Molar mass: 131.22 g/mol
Exact mass: 131.1310 Da
logP: 0.76Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

42042-71-7

SMILES

CC(C)NCCCCO

InChIKey

IPLWOCGPIGUXOR-UHFFFAOYSA-N

InChI

InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3

Weigh it out

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

Work with 4-(Isopropylamino)butanol

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

2-Isopropylaminoethanol109-56-868 % similar N,N′-Diisopropylethylenediamine4013-94-952 % similar 3-(Methylamino)-1-propanol42055-15-244 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-243 % similar 2-Piperidineethanol1484-84-043 % similar N-Isopropylethylenediamine19522-67-942 % similar Isooctan-1-ol26952-21-641 % similar Isostearyl alcohol27458-93-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-2,2-dimethylpentanol13532-77-9 3-Butoxy-1-propanamine16499-88-0 1-(Diethylamino)-2-propanol4402-32-8 3-(Diethylamino)-1-propanol622-93-5

Elsewhere

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