6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline

C₁₄H₂₀N₂O₂CAS 164148-92-9248.33 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: 2.56Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

164148-92-9

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)N

InChIKey

OLOIFCYZWOTWRO-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3

Weigh it out

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

Work with 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline

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 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-970 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-070 % similar tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-063 % similar 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-760 % similar tert-Butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate949922-62-756 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-955 % similar N-Boc-5-bromoisoindoline201940-08-155 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-855 % 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 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-8 4-Aminomethyl-1-N-Cbz-piperidine157023-34-2 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

PubChem CAS Common Chemistry NIST WebBook