4-Aminocyclohexanol
Properties
- Molecular formula
- C6H13NO
- Molar mass
- 115.18 g/mol
- Exact mass
- 115.0997 Da
- Melting point
- 64–65 °C
- Boiling point
- 235–245 °C
- logP
- 0.25Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage29.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects66.7% of notifiers
Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501
Identifiers
CAS number
6850-65-3SMILES
NC1CCC(O)CC1InChIKey
IMLXLGZJLAOKJN-UHFFFAOYSA-NInChI
InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Cyclohexanol, 4-amino-
- 4-Hydroxycyclohexylamine
- 4-Amino-1-cyclohexanol
- 1-Amino-4-hydroxycyclohexane
Work with 4-Aminocyclohexanol
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Cyclopropanol16545-68-960 % similar
trans-1,4-Diaminocyclohexane2615-25-060 % similar
1,4-Diaminocyclohexane3114-70-360 % similar
1,4-Cyclohexanediol556-48-960 % similar
trans-1,4-Cyclohexanediol6995-79-560 % similar
Cyclopropylamine765-30-060 % similar
(1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-359 % similar
[1,1′-Bicyclohexyl]-4,4′-diol20601-38-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.