chempirical

tert-Butyl (6-aminohexyl)carbamate monohydrochloride

C11H25ClN2O2CAS 65915-94-8252.78 g/mol

Open in Covalent MOL file
OONHNH2HCl
Primary amine

Properties

Molecular formula
C11H25ClN2O2
Molar mass
252.78 g/mol
Exact mass
252.1605 Da
Melting point
162.5–163.5 °C
logP
2.66Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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
65915-94-8
SMILES
CC(C)(C)OC(O)=NCCCCCCN.Cl
InChIKey
JSBWQIZQJOQPFN-UHFFFAOYSA-N
InChI
InChI=1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H

Weigh it out

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

Names and synonyms

8 names
  • N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride
  • Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
  • Carbamic acid, (6-aminohexyl)-, 1,1-dimethylethyl ester, monohydrochloride
  • N-tert-Butyloxycarbonyl-1,6-diaminohexane hydrochloride
  • N-BOC-1,6-diaminohexane hydrochloride
  • tert-Butyl N-(6-aminohexyl)carbamate hydrochloride
  • N-BOC-hexane-1,6-diamine hydrochloride
  • N-Boc-hexamethylenediamine hydrochloride

Work with tert-Butyl (6-aminohexyl)carbamate monohydrochloride

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

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.

N-Boc-1,6-diaminohexane51857-17-1Free base

Similar compounds

N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-391 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-079 % similar N-Boc-ethylenediamine57260-73-869 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-463 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-059 % similar H-D-Lys(boc)-otbu hcl201007-86-557 % similar 6-[(tert-Butoxycarbonyl)amino]hexanoic acid6404-29-157 % similar Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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