Isoamylamine

C₅H₁₃NCAS 107-85-787.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₃N
Molar mass: 87.17 g/mol
Exact mass: 87.1048 Da
Density: 0.74 g/mL (at 15 °C)
Melting point: 131–132 °C
Boiling point: 96 °C
logP: 0.99Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor17.2% of notifiers
H302 Harmful if swallowed96.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H315 Causes skin irritation82.8% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H319 Causes serious eye irritation82.8% of notifiers
H335 May cause respiratory irritation94.7% of notifiers

Aggregated from 1,553 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, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

107-85-7

SMILES

CC(C)CCN

InChIKey

BMFVGAAISNGQNM-UHFFFAOYSA-N

InChI

InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all

1-Butanamine, 3-methyl-
Isopentylamine
Propylamine, 3,3-dimethyl-
3-Methyl-1-butanamine
Leucamine
3-Methylbutylamine
γ-Isoamylamine
Monoisoamylamine
1-Amino-3-methylbutane
3-Methylbutanamine
Isovalerylamine
Monoisopentylamine
3-Methyl-n-butylamine
NSC 7907
2-(2-Isopropyl)ethylamine
3-Methyl-1-aminobutane

Work with Isoamylamine

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

2,5-Dimethylhexane592-13-253 % similar 2,7-Dimethyloctane1072-16-847 % similar Isobutylamine78-81-944 % similar 4-Amino-2-methyl-1-butanol44565-27-743 % similar 1,4-Dimethylpentylamine28292-43-543 % similar 2-Methylpentane107-83-542 % similar 1-Bromo-3-methylbutane107-82-440 % similar 1-Chloro-3-methylbutane107-84-640 % similar

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

Same formula

1-Aminopentane110-58-7 Methylbutylamine110-68-9 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