1,7-Bis-boc-1,4,7-triazaheptane

C₁₄H₂₉N₃O₄CAS 117499-16-8303.40 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₄H₂₉N₃O₄
Molar mass: 303.40 g/mol
Exact mass: 303.2158 Da
logP: 1.63Crippen estimate
Polar surface area: 88.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

117499-16-8

SMILES

CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C

InChIKey

KNORWRWRHNHJAV-UHFFFAOYSA-N

InChI

InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)

Weigh it out

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

Work with 1,7-Bis-boc-1,4,7-triazaheptane

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

(2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-473 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-172 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-571 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-267 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-567 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-567 % similar 4-(Boc-aminomethyl)piperidine135632-53-066 % similar 3-(Boc-amino)-1-propanol58885-58-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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