trans-2-(4-Amino-cyclohexyl)-propan-2-ol

C₉H₁₉NOCAS 899806-45-2157.26 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₉H₁₉NO
Molar mass: 157.26 g/mol
Exact mass: 157.1467 Da
logP: 1.27Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

899806-45-2

SMILES

CC(C)(C1CCC(CC1)N)O

InChIKey

IUGMKNUWVITXNR-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

trans-2-(4-Aminocyclohexyl)-2-hydroxypropane

Work with trans-2-(4-Amino-cyclohexyl)-propan-2-ol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dihydro-α-terpineol498-81-758 % similar 4-tert-Butylcyclohexylamine5400-88-456 % similar 2-(4-Piperidyl)-2-propanol22990-34-752 % similar Terpin hydrate2451-01-645 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-644 % similar trans-1,4-Diaminocyclohexane2615-25-043 % similar 1,4-Diaminocyclohexane3114-70-343 % similar Cyclopropylamine765-30-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Diethylamino)-2-pentanone105-14-6 (R)-2-Amino-3-cyclohexylpropan-1-ol205445-49-4 4-Hydroxy-2,2,6,6-tetramethylpiperidine2403-88-5 N,N-Dibutylformamide761-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook