Home > Compound List > Compound details
1223748-40-0 molecular structure
click picture or here to close

N,N-dimethyl-4-(pyrrolidin-3-yl)benzamide hydrochloride

ChemBase ID: 53206
Molecular Formular: C13H19ClN2O
Molecular Mass: 254.75576
Monoisotopic Mass: 254.11859092
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)C1CNCC1)N(C)C.Cl
Canonical SMILES:
O=C(c1ccc(cc1)C1CCNC1)N(C)C.Cl
InChI:
InChI=1S/C13H18N2O.ClH/c1-15(2)13(16)11-5-3-10(4-6-11)12-7-8-14-9-12;/h3-6,12,14H,7-9H2,1-2H3;1H
InChIKey:
GYHNTWYZCAYIOG-UHFFFAOYSA-N

Cite this record

CBID:53206 http://www.chembase.cn/molecule-53206.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-(pyrrolidin-3-yl)benzamide hydrochloride
IUPAC Traditional name
N,N-dimethyl-4-(pyrrolidin-3-yl)benzamide hydrochloride
Synonyms
N,N-Dimethyl-4-(pyrrolidin-3-yl)benzamide hydrochloride
CAS Number
1223748-40-0
MDL Number
MFCD14708239
PubChem SID
162057969
PubChem CID
46835749

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057977 external link Add to cart Please log in.
Data Source Data ID
PubChem 46835749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2293835  LogD (pH = 7.4) -2.0444686 
Log P 1.0096883  Molar Refractivity 65.6728 cm3
Polarizability 24.927486 Å3 Polar Surface Area 32.34 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
95% 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