(R)-1-Cbz-3-aminopyrrolidine hydrochloride

C₁₂H₁₇ClN₂O₂CAS 870621-17-3256.73 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₁₇ClN₂O₂
Molar mass: 256.73 g/mol
Exact mass: 256.0979 Da
logP: 1.78Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

870621-17-3

SMILES

C1CN(C[C@@H]1N)C(=O)OCC2=CC=CC=C2.Cl

InChIKey

QNQVBYGRFHOBNO-RFVHGSKJSA-N

InChI

InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m1./s1

Weigh it out

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

Names and synonyms

1 names

(R)-(-)-1-Cbz-3-Aminopyrrolidine hydrochloride

Work with (R)-1-Cbz-3-aminopyrrolidine 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.

Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6Free base (S)-1-Cbz-3-aminopyrrolidine122536-72-5Free base, enantiomer Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5Free base, stereo not defined (S)-1-Cbz-3-aminopyrrolidine hydrochloride550378-39-7Enantiomer

Similar compounds

(R)-3-Amino-1-N-cbz-piperidine1044560-96-479 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-379 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-178 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-273 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-163 % similar Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate66207-08-763 % similar 3-Hydroxy-1-N-cbz-pyrrolidine95656-88-563 % similar 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-3-Cbz-amino pyrrolidine-hcl1217631-74-7 Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook