Pyrrolidine, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride (1:1), (2R)-
Properties
- Molecular formula
- C14H25BClNO2
- Molar mass
- 285.62 g/mol
- Exact mass
- 285.1667 Da
- logP
- 2.43Crippen estimate
- Polar surface area
- 30.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
- Stereocentres
- S, R, R, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
147208-69-3SMILES
CC1(C)[C@@H]2C[C@H]3OB([C@@H]4CCCN4)O[C@@]3(C)[C@H]1C2.ClInChIKey
OVVMNBVQOPZMPY-AKDYBRCWSA-NInChI
InChI=1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11+,12-,14-;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyrrolidine, 2-(hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-, hydrochloride, [3aS-[2(S*),3aα,4β,6β,7aα]]-
- Pyrrolidine, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride, (2R)-
- 4,6-Methano-1,3,2-benzodioxaborole, pyrrolidine deriv.
- (R)-2-((3aS,4S,6S,7aR)-3a,5,5-Trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)pyrrolidine hydrochloride
Work with Pyrrolidine, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, hydrochloride (1:1), (2R)-
Similar compounds
Phenylalanin-isobutylboronsaure-ester205393-21-147 % similar
2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester84110-34-947 % similar
α-Pinene oxide1686-14-242 % similar
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)179324-87-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.