Methylbutylamine

C₅H₁₃NCAS 110-68-987.17 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₃N
Molar mass: 87.17 g/mol
Exact mass: 87.1048 Da
Density: 0.7637 g/mL (at 15 °C)
Melting point: −75 °C
Boiling point: 91 °C
pKa: 10.9 (conjugate acid)
Flash point: 12.8 °C (open cup)
Water solubility: miscible
logP: 1.01Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin89.1% of notifiers
H312 Harmful in contact with skin10.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

110-68-9

SMILES

CCCCNC

InChIKey

QCOGKXLOEWLIDC-UHFFFAOYSA-N

InChI

InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

1-Butanamine, N-methyl-
Butylamine, N-methyl-
N-Methyl-1-butanamine
N-Methyl-n-butylamine
Butylmethylamine
N-Methylbutylamine
N-Butylmethylamine
N-Butyl-N-methylamine
N-Methylbutanamine
Methylaminobutane

Reactions

N-METHYLBUTYLAMINE (Butylamine, N-methyl-)product

Work with Methylbutylamine

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

N-Methylpentylamine25419-06-182 % similar N-Methyloctylamine2439-54-578 % similar Methyloctadecylamine2439-55-678 % similar N-Methyldodecylamine7311-30-078 % similar N-Methylpropylamine627-35-065 % similar N,N'-Dimethyl-1,3-propanediamine111-33-163 % similar N1,N6-Dimethyl-1,6-hexanediamine13093-04-459 % similar Dibutylamine111-92-256 % similar

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

Same formula

Isoamylamine107-85-7 1-Aminopentane110-58-7 N,2-Dimethyl-2-propanamine14610-37-8 N-Ethyl-2-propanamine19961-27-4 Ethylpropylamine20193-20-8 (R)-(-)-2-Amino-3-methylbutane34701-33-2 Neopentylamine5813-64-9 tert-Amylamine594-39-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook