Home > Compound List > Compound details
25329-22-0 molecular structure
click picture or here to close

N-(2-tert-butylcyclohexyl)-2-chloroacetamide

ChemBase ID: 312292
Molecular Formular: C12H22ClNO
Molecular Mass: 231.76218
Monoisotopic Mass: 231.13899201
SMILES and InChIs

SMILES:
N(C1C(C(C)(C)C)CCCC1)C(=O)CCl
Canonical SMILES:
ClCC(=O)NC1CCCCC1C(C)(C)C
InChI:
InChI=1S/C12H22ClNO/c1-12(2,3)9-6-4-5-7-10(9)14-11(15)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKey:
IWYOLTOAYPMSIZ-UHFFFAOYSA-N

Cite this record

CBID:312292 http://www.chembase.cn/molecule-312292.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-tert-butylcyclohexyl)-2-chloroacetamide
IUPAC Traditional name
N-(2-tert-butylcyclohexyl)-2-chloroacetamide
Synonyms
N-(2-tert-butylcyclohexyl)-2-chloroacetamide
CAS Number
25329-22-0
MDL Number
MFCD08591502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9070589 external link Add to cart
Data Source Data ID Price
ChemBridge
9070589 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) 2.9266098  LogD (pH = 7.4) 2.9266095 
Log P 2.9266098  Molar Refractivity 63.2263 cm3
Polarizability 25.135075 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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