1-(N,N-Dimethylamino)butane

C₆H₁₅NCAS 927-62-8101.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₅N
Molar mass: 101.19 g/mol
Exact mass: 101.1204 Da
Density: 1.0601 g/mL (at 20 °C)
Melting point: 96 °C
Boiling point: 95 °C
pKa: 10.2
logP: 1.35Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301+H331 Toxic if swallowed or if inhaled61.5% of notifiers
H301 Toxic if swallowed98.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage76.9% of notifiers
H330 Fatal if inhaled22.5% of notifiers
H331 Toxic if inhaled61.5% of notifiers
H335 May cause respiratory irritation76.3% of notifiers

Aggregated from 169 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, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

927-62-8

SMILES

CCCCN(C)C

InChIKey

DJEQZVQFEPKLOY-UHFFFAOYSA-N

InChI

InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

9 names

1-Butanamine, N,N-dimethyl-
Butylamine, N,N-dimethyl-
N,N-Dimethyl-1-butanamine
N,N-Dimethylbutylamine
Butyldimethylamine
N-Butyldimethylamine
Dimethyl(n-butyl)amine
N-n-Butyldimethylamine
D 1506

Work with 1-(N,N-Dimethylamino)butane

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

Lauryldimethylamine112-18-578 % similar Dimethylhexadecylamine112-69-678 % similar Tetradecyldimethylamine112-75-478 % similar Dimethyldecylamine1120-24-778 % similar Dimethyloctadecylamine124-28-778 % similar N,N-Dimethylhexylamine4385-04-078 % similar Dimethyloctylamine7378-99-678 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dimethylbutylamine108-09-8 Diisopropylamine108-18-9 Hexylamine111-26-2 Triethylamine121-44-8 Ethylbutylamine13360-63-9 Dipropylamine142-84-7 (+)-2-Amino-3,3-dimethylbutane22526-47-2 N-Methylpentylamine25419-06-1

Elsewhere

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