tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride

C12H23ClN2O2CAS 1023301-84-9262.78 g/mol

Open in Covalent MOL file
OONNHHCl
CarbamateSecondary amine

Properties

Molecular formula
C12H23ClN2O2
Molar mass
262.78 g/mol
Exact mass
262.1448 Da
logP
2.03Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1023301-84-9
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.Cl
InChIKey
HVLQURGQQISYSQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;/h13H,4-9H2,1-3H3;1H

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Names and synonyms

1 names
  • tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloride

Work with tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride

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.

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7Free base

Similar compounds

tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-076 % similar 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-674 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-870 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-268 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-866 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-365 % similar 7-Boc-2-oxa-7-azaspiro[3.5]nonane240401-27-863 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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