N-Boc-1,3-diaminopropane hydrochloride

C8H19ClN2O2CAS 127346-48-9210.70 g/mol

Open in Covalent MOL file
OONHNH2HCl
CarbamatePrimary amine

Properties

Molecular formula
C8H19ClN2O2
Molar mass
210.70 g/mol
Exact mass
210.1135 Da
logP
1.28Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

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
127346-48-9
SMILES
CC(C)(C)OC(=O)NCCCN.Cl
InChIKey
WUXOJNUZYOFBMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5-9;/h4-6,9H2,1-3H3,(H,10,11);1H

Weigh it out

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

Work with N-Boc-1,3-diaminopropane 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.

tert-Butyl (3-aminopropyl)carbamate75178-96-0Free base

Similar compounds

tert-Butyl N-(4-aminobutyl)carbamate68076-36-882 % similar N-Boc-ethylenediamine hydrochloride79513-35-282 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-263 % similar Boc-1-amino-3,6-dioxa-8-octanediamine153086-78-362 % similar Boc-NH-PEG4-amine811442-84-962 % similar 3-(Boc-amino)-1-propanol58885-58-859 % similar tert-Butyl N-(3-bromopropyl)carbamate83948-53-259 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook