1-Boc-hexahydro-1H-azepin-4-amine

C₁₁H₂₂N₂O₂CAS 196613-57-7214.31 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.73Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

196613-57-7

SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)N

InChIKey

YCOKHOLOSGJEGL-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 4-aminoazepane-1-carboxylate

Work with 1-Boc-hexahydro-1H-azepin-4-amine

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

tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-788 % similar 1-Boc-3-aminopiperidine144243-24-378 % similar N-Boc-3-aminopiperidine184637-48-778 % similar (R)-1-Boc-3-aminopiperidine188111-79-778 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-378 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-573 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-073 % similar tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-073 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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