Isobutylamine
Properties
- Molecular formula
- C4H11N
- Molar mass
- 73.14 g/mol
- Exact mass
- 73.0891 Da
- Density
- 0.724 g/mL (at 25 °C)
- Melting point
- −85 °C
- Boiling point
- 68–69 °C
- pKa
- 10.68 (conjugate acid, 25 °C)
- Flash point
- -9.4 °C (closed cup)
- Water solubility
- miscible (25 °C)
- logP
- 0.60Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled13.9% of notifiers
- H301 Toxic if swallowed51% of notifiers
- H302 Harmful if swallowed49% of notifiers
- H311 Toxic in contact with skin27.4% of notifiers
- H314 Causes severe skin burns and eye damage99.5% of notifiers
- H318 Causes serious eye damage45.2% of notifiers
- H331 Toxic if inhaled26.9% of notifiers
- H335 May cause respiratory irritation27.4% of notifiers
Aggregated from 208 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, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
78-81-9SMILES
CC(C)CNInChIKey
KDSNLYIMUZNERS-UHFFFAOYSA-NInChI
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 1-Propanamine, 2-methyl-
- 2-Methyl-1-propanamine
- 1-Amino-2-methylpropane
- Monoisobutylamine
- Valamine
- 2-Methylpropylamine
- 3-Methyl-2-propylamine
- iso-Butylamine
- 2-Methylpropanamine
- 2-Methyl-1-aminopropane
- NSC 8028
- i-Butylamine
Work with Isobutylamine
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
Isoamylamine107-85-744 % similar
1,2-Diaminopropane78-90-044 % similar
(R)-1-Amino-2-propanol2799-16-842 % similar
(+)-1-Amino-2-propanol2799-17-942 % similar
1-Aminopropan-2-ol78-96-642 % similar
2,4-Dimethylpentane108-08-740 % similar
2,5-Dimethylhexane592-13-240 % similar
(±)-2-Methylbutylamine96-15-140 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.