Home > Compound List > Compound details
16183-35-0 molecular structure
click picture or here to close

butyl[(3-chlorophenyl)methyl]amine

ChemBase ID: 312669
Molecular Formular: C11H16ClN
Molecular Mass: 197.70444
Monoisotopic Mass: 197.0971272
SMILES and InChIs

SMILES:
c1c(Cl)cccc1CNCCCC
Canonical SMILES:
CCCCNCc1cccc(c1)Cl
InChI:
InChI=1S/C11H16ClN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8,13H,2-3,7,9H2,1H3
InChIKey:
GAAGRDXHAYEBJG-UHFFFAOYSA-N

Cite this record

CBID:312669 http://www.chembase.cn/molecule-312669.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl[(3-chlorophenyl)methyl]amine
IUPAC Traditional name
butyl[(3-chlorophenyl)methyl]amine
Synonyms
N-(3-chlorobenzyl)-1-butanamine
CAS Number
16183-35-0
MDL Number
MFCD05740343

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9071982 external link Add to cart
Data Source Data ID Price
ChemBridge
9071982 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) 0.25816238  LogD (pH = 7.4) 1.1599654 
Log P 3.4595382  Molar Refractivity 57.9844 cm3
Polarizability 22.929497 Å3 Polar Surface Area 12.03 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