Home > Compound List > Compound details
13324-66-8 molecular structure
click picture or here to close

N-benzylcyclopropanamine

ChemBase ID: 254221
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
C1(CC1)NCc1ccccc1
Canonical SMILES:
N(C1CC1)Cc1ccccc1
InChI:
InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2
InChIKey:
USBAUXJPPHVCTF-UHFFFAOYSA-N

Cite this record

CBID:254221 http://www.chembase.cn/molecule-254221.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzylcyclopropanamine
IUPAC Traditional name
N-benzylcyclopropanamine
Synonyms
N-benzyl-N-cyclopropylamine
CAS Number
13324-66-8
MDL Number
MFCD00089909
PubChem SID
164310131
PubChem CID
25866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-28977 external link Add to cart Please log in.
Data Source Data ID
PubChem 25866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1681372  LogD (pH = 7.4) -0.034895763 
Log P 1.9971591  Molar Refractivity 46.5172 cm3
Polarizability 18.544119 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.864 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