structure of [5-(4-Methyl-piperazin-1-yl)-2-nitro-phenyl]-methanol

[5-(4-Methyl-piperazin-1-yl)-2-nitro-phenyl]-methanol

CAS No.: 1002556-21-9
M. Wt: 251.28200
M. Fa: C12H17N3O3
InChI Key: BAZVIKBIAQXZTM-UHFFFAOYSA-N
Appearance: Light Yellow To Yellow Solid

Names and Identifiers of 1002556-21-9

CAS Number

1002556-21-9

MDL Number

MFCD31696488

IUPAC Name

[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]methanol

InChI

InChI=1S/C12H17N3O3/c1-13-4-6-14(7-5-13)11-2-3-12(15(17)18)10(8-11)9-16/h2-3,8,16H,4-7,9H2,1H3

InChIKey

BAZVIKBIAQXZTM-UHFFFAOYSA-N

Canonical SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CO

UNSPSC Code

12352100

Physical and chemical properties of 1002556-21-9

Exact Mass

251.12700

H Bond Acceptors

5

H Bond Donors

1

LogP

1.36500

Molecular Formula

C12H17N3O3

Molecular Weight

251.28200

PSA

72.53000

Safety Information of 1002556-21-9

Pictograms

Signal Word

 Warning

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

Physical sample testing spectrum (NMR) of 1002556-21-9

Physical sample testing spectrum (NMR) of 1002556-21-9