Cycloheptylamine
Properties
- Molecular formula
- C7H15N
- Molar mass
- 113.20 g/mol
- Exact mass
- 113.1204 Da
- Boiling point
- 165–169 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor97.8% of notifiers
- H314 Causes severe skin burns and eye damage13% of notifiers
- H315 Causes skin irritation84.8% of notifiers
- H335 May cause respiratory irritation87% 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, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
5452-35-7SMILES
NC1CCCCCC1InChIKey
VXVVUHQULXCUPF-UHFFFAOYSA-NInChI
InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Cycloheptanamine
- Aminocycloheptane
- NSC 18962
- (2-Cycloheptyl)amine
Work with Cycloheptylamine
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
Cyclohexylamine108-91-8100 % similar
Cyclododecanamine1502-03-0100 % similar
Cyclooctylamine5452-37-9100 % similar
Cyclopentylamine1003-03-892 % similar
Cyclohexylammonium bromide26227-54-380 % similar
Cyclohexylamine hydrochloride4998-76-980 % similar
Cyclobutylamine2516-34-977 % similar
Cyclobutylammonium chloride6291-01-663 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.