Home > Compound List > Compound details
918812-18-7 molecular structure
click picture or here to close

[2-(morpholine-4-sulfonyl)phenyl]methanamine hydrochloride

ChemBase ID: 101514
Molecular Formular: C11H17ClN2O3S
Molecular Mass: 292.78228
Monoisotopic Mass: 292.06484109
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCOCC1)c1c(CN)cccc1.Cl
Canonical SMILES:
NCc1ccccc1S(=O)(=O)N1CCOCC1.Cl
InChI:
InChI=1S/C11H16N2O3S.ClH/c12-9-10-3-1-2-4-11(10)17(14,15)13-5-7-16-8-6-13;/h1-4H,5-9,12H2;1H
InChIKey:
RMMDNVBLYNZQFP-UHFFFAOYSA-N

Cite this record

CBID:101514 http://www.chembase.cn/molecule-101514.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(morpholine-4-sulfonyl)phenyl]methanamine hydrochloride
IUPAC Traditional name
[2-(morpholine-4-sulfonyl)phenyl]methanamine hydrochloride
Synonyms
2-(morpholinosulfonyl)benzylamine hydrochloride
1-[2-(morpholin-4-ylsulfonyl)phenyl]methanamine hydrochloride
CAS Number
918812-18-7
MDL Number
MFCD09284586
PubChem SID
162088836
PubChem CID
16320333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16320333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8211477  LogD (pH = 7.4) -1.2674239 
Log P -0.0661033  Molar Refractivity 65.5572 cm3
Polarizability 26.319296 Å3 Polar Surface Area 72.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
216 - 218°C expand Show data source
Hydrophobicity(logP)
0.235 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Salt Data
HCl 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