Diisoamylamine
Properties
- Molecular formula
- C10H23N
- Molar mass
- 157.30 g/mol
- Exact mass
- 157.1830 Da
- Density
- 0.768 g/mL (at 20 °C)
- Melting point
- −44 °C
- Boiling point
- 188 °C
- logP
- 2.67Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage28.6% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
Aggregated from 7 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+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
544-00-3SMILES
CC(C)CCNCCC(C)CInChIKey
SPVVMXMTSODFPU-UHFFFAOYSA-NInChI
InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1-Butanamine, 3-methyl-N-(3-methylbutyl)-
- Diisopentylamine
- 3-Methyl-N-(3-methylbutyl)-1-butanamine
- NSC 6261
- N,N-Bis(3-methylbutyl)amine
- Bis(3-methylbutyl)amine
Work with Diisoamylamine
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
4-Methylpiperidine626-58-456 % similar
2,5-Dimethylhexane592-13-253 % similar
2,7-Dimethyloctane1072-16-847 % similar
5-Methyl-[1,4]diazepane22777-05-545 % similar
Diisobutylamine110-96-344 % similar
N-Isobutyl piperazine5308-28-143 % similar
N-Methyl-4-piperidinamine45584-07-443 % similar
2-Methylpentane107-83-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds