Home > Compound List > Compound details
50971-79-4 molecular structure
click picture or here to close

2-(10H-phenothiazin-10-yl)ethan-1-amine hydrochloride

ChemBase ID: 71074
Molecular Formular: C14H15ClN2S
Molecular Mass: 278.8003
Monoisotopic Mass: 278.06444717
SMILES and InChIs

SMILES:
N1(c2c(Sc3c1cccc3)cccc2)CCN.Cl
Canonical SMILES:
NCCN1c2ccccc2Sc2c1cccc2.Cl
InChI:
InChI=1S/C14H14N2S.ClH/c15-9-10-16-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)16;/h1-8H,9-10,15H2;1H
InChIKey:
LAVBLPLCRGKRCC-UHFFFAOYSA-N

Cite this record

CBID:71074 http://www.chembase.cn/molecule-71074.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(10H-phenothiazin-10-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
2-(phenothiazin-10-yl)ethanamine hydrochloride
Synonyms
2-(10H-Phenothiazin-10-yl)ethan-1-amine hydrochloride
CAS Number
50971-79-4
MDL Number
MFCD22192242
PubChem SID
162036780
PubChem CID
24197196

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24197196 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.058253706  LogD (pH = 7.4) 0.91561294 
Log P 3.0553675  Molar Refractivity 74.0168 cm3
Polarizability 28.614475 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle