N-Boc-ethylenediamine hydrochloride

C₇H₁₇ClN₂O₂CAS 79513-35-2196.67 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₇H₁₇ClN₂O₂
Molar mass: 196.67 g/mol
Exact mass: 196.0979 Da
logP: 0.89Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

79513-35-2

SMILES

CC(C)(C)OC(=O)NCCN.Cl

InChIKey

XUHJJLCKXZTUJN-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2O2.ClH/c1-7(2,3)11-6(10)9-5-4-8;/h4-5,8H2,1-3H3,(H,9,10);1H

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-(2-aminoethyl)carbamate hydrochloride

Work with N-Boc-ethylenediamine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Boc-ethylenediamine57260-73-8Free base

Similar compounds

N-Boc-1,3-diaminopropane hydrochloride127346-48-982 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-871 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-267 % similar Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-365 % similar Boc-NH-PEG4-amine811442-84-965 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-861 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-157 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-257 % similar

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

Same formula

Bethanechol chloride590-63-6 L-Lysine, N6-methyl-, hydrochloride (1:1)7622-29-9

Elsewhere

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