Benzyl N-(3-aminopropyl)carbamate hydrochloride

C11H17ClN2O2CAS 17400-34-9244.72 g/mol

Open in Covalent MOL file
OOHNNH2HCl
CarbamatePrimary amine

Properties

Molecular formula
C11H17ClN2O2
Molar mass
244.72 g/mol
Exact mass
244.0979 Da
logP
1.68Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
17400-34-9
SMILES
C1=CC=C(C=C1)COC(=O)NCCCN.Cl
InChIKey
XKMBTMXQMDLSRB-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O2.ClH/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2,(H,13,14);1H

Weigh it out

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

Names and synonyms

1 names
  • N-Carbobenzoxy-1,3-diaminopropane hydrochloride

Work with Benzyl N-(3-aminopropyl)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-(2-aminoethyl)carbamate hydrochloride18807-71-184 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-464 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-661 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-459 % similar Benzyl (3-Oxopropyl)carbamate65564-05-857 % similar (S)-tert-Butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride5978-22-355 % similar H-D-Lys(Z)-oh34404-32-555 % similar Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate926280-84-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pilocarpine hydrochloride54-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook