2-Aminoheptane
Properties
- Molecular formula
- C7H17N
- Molar mass
- 115.22 g/mol
- Exact mass
- 115.1361 Da
- Density
- 0.7629 g/mL (at 20 °C)
- Melting point
- 101–102 °C
- Boiling point
- 142 °C
- logP
- 1.91Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed13% of notifiers
- H312 Harmful in contact with skin13% of notifiers
- H314 Causes severe skin burns and eye damage15.2% of notifiers
- H315 Causes skin irritation84.8% of notifiers
- H319 Causes serious eye irritation84.8% of notifiers
- H332 Harmful if inhaled13% of notifiers
- H335 May cause respiratory irritation84.8% 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, 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
123-82-0SMILES
CCCCCC(C)NInChIKey
VSRBKQFNFZQRBM-UHFFFAOYSA-NInChI
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
20 names · show all
- 2-Heptanamine
- Heptamine
- Rineptyl
- Heptin
- Tuaminoheptan
- 1-Methylhexanamine
- DL-1-Methylhexylamine
- (±)-2-Aminoheptane
- Dl-2-Aminoheptane
- (RS)-2-aminoheptane
- NSC 1091
- NSC 27160
- Hexylamine, 1-methyl-
- Armeen L-7
- 1-Methylhexylamine
- Rineptil
- Tuamine
- Tuaminoheptane
- 2-Heptylamine
- Heptamine (sympathomimetic)
Work with 2-Aminoheptane
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-Octanamine693-16-395 % similar
2-Pentanamine63493-28-767 % similar
(±)-1,5-Dimethylhexylamine543-82-854 % similar
2-Methylheptane592-27-852 % similar
N,N-Diethyl-1,4-pentanediamine140-80-750 % similar
2-Methyloctane3221-61-250 % similar
2-Methyldecane6975-98-050 % similar
2-Methylundecane7045-71-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds