tert-Butyl N-(4-aminobutyl)carbamate

C₉H₂₀N₂O₂CAS 68076-36-8188.27 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₉H₂₀N₂O₂
Molar mass: 188.27 g/mol
Exact mass: 188.1525 Da
logP: 1.25Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage87.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

68076-36-8

SMILES

CC(C)(C)OC(=O)NCCCCN

InChIKey

ZFQWJXFJJZUVPI-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)

Weigh it out

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

Work with tert-Butyl N-(4-aminobutyl)carbamate

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

N-Boc-1,3-diaminopropane hydrochloride127346-48-982 % similar N-Boc-ethylenediamine hydrochloride79513-35-271 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-267 % similar 4-(Boc-amino)butyl bromide164365-88-266 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-966 % similar Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-365 % similar Boc-NH-PEG4-amine811442-84-965 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-3 Propamocarb24579-73-5

Elsewhere

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