1-N-Cbz-trans-1,4-cyclohexyldiamine

C₁₄H₂₀N₂O₂CAS 149423-77-8248.33 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₄H₂₀N₂O₂
Molar mass: 248.33 g/mol
Exact mass: 248.1525 Da
logP: 2.18Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

149423-77-8

SMILES

C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2

InChIKey

JQVBZZUMWRXDSQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)

Weigh it out

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

Names and synonyms

1 names

N-Cbz-trans-1,4-cyclohexanediamine

Work with 1-N-Cbz-trans-1,4-cyclohexyldiamine

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

N-Cbz-4-hydroxycyclohexane16801-62-070 % similar 4-N-Cbz-cyclohexanone16801-63-168 % similar 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid34771-04-565 % similar 3-(Cbz-amino)-azetidine914348-04-264 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-763 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-062 % similar (R)-3-N-Cbz-aminopyrrolidine879275-77-162 % similar 3-Cbz-aminopiperidine hcl31648-54-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-0 Pindolol13523-86-9 4-Aminomethyl-1-N-Cbz-piperidine157023-34-2 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-9 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5 Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate314268-40-1 Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-1 Benzyl 2-(aminomethyl)piperidine-1-carboxylate811842-18-9

Elsewhere

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