structure of 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid hydrochloride

2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid hydrochloride

CAS No.: 1004292-98-1
M. Wt: 205.682
M. Fa: C9H16ClNO2
InChI Key: PONAUWFRJYNGAC-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1004292-98-1

CAS Number

1004292-98-1

MDL Number

MFCD34181599

IUPAC Name

2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid;hydrochloride

InChI

InChI=1S/C9H15NO2.ClH/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h6-8,10H,1-5H2,(H,11,12);1H

InChIKey

PONAUWFRJYNGAC-UHFFFAOYSA-N

Canonical SMILES

C1CCC2C(C1)CC(N2)C(=O)O.Cl

UNSPSC Code

12352100

Physical and chemical properties of 1004292-98-1

Exact Mass

205.086960

H Bond Acceptors

3

H Bond Donors

2

LogP

-1.2836801308204

Melting Point

176-178 °C

Molecular Formula

C9H16ClNO2

Molecular Weight

205.682

Safety Information of 1004292-98-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Physical sample testing spectrum (NMR) of 1004292-98-1

Physical sample testing spectrum (NMR) of 1004292-98-1