Home > Compound List > Compound details
1017396-60-9 molecular structure
click picture or here to close

3-(3-chlorophenyl)morpholine

ChemBase ID: 804246
Molecular Formular: C10H12ClNO
Molecular Mass: 197.66138
Monoisotopic Mass: 197.06074169
SMILES and InChIs

SMILES:
C1(COCCN1)c1cc(ccc1)Cl
Canonical SMILES:
Clc1cccc(c1)C1COCCN1
InChI:
InChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10/h1-3,6,10,12H,4-5,7H2
InChIKey:
BVVLTFIYZDQMAU-UHFFFAOYSA-N

Cite this record

CBID:804246 http://www.chembase.cn/molecule-804246.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-chlorophenyl)morpholine
IUPAC Traditional name
3-(3-chlorophenyl)morpholine
Synonyms
3-(3-CHLOROPHENYL)MORPHOLINE
CAS Number
1017396-60-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21130 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21130 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.18275058  LogD (pH = 7.4) 1.5048556 
Log P 1.976906  Molar Refractivity 52.8555 cm3
Polarizability 21.041618 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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