Benzyl N-(2-aminoethyl)carbamate hydrochloride

C₁₀H₁₅ClN₂O₂CAS 18807-71-1230.69 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₁₅ClN₂O₂
Molar mass: 230.69 g/mol
Exact mass: 230.0822 Da
logP: 1.29Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 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

18807-71-1

SMILES

C1=CC=C(C=C1)COC(=O)NCCN.Cl

InChIKey

QMLKQXIAPAAIEJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2.ClH/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H

Weigh it out

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Work with Benzyl N-(2-aminoethyl)carbamate 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

Similar compounds

Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-984 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-664 % similar Benzyl (3-Oxopropyl)carbamate65564-05-863 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-460 % similar Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate926280-84-456 % similar Glycine benzyl ester monohydrochloride2462-31-955 % similar N-Carbobenzoxyaminoacetonitrile3589-41-155 % similar N-Benzyloxycarbonylglycine thioamide49548-40-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)68133-98-2

Elsewhere

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