Home > Compound List > Compound details
13910-48-0 molecular structure
click picture or here to close

(3-aminopropyl)(benzyl)amine

ChemBase ID: 24330
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
N(CCCN)Cc1ccccc1
Canonical SMILES:
NCCCNCc1ccccc1
InChI:
InChI=1S/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
InChIKey:
RFLHDXQRFPJPRR-UHFFFAOYSA-N

Cite this record

CBID:24330 http://www.chembase.cn/molecule-24330.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-aminopropyl)(benzyl)amine
IUPAC Traditional name
(3-aminopropyl)(benzyl)amine
Synonyms
N1-Benzyl-1,3-propanediamine
N1-Benzylpropane-1,3-diamine
CAS Number
13910-48-0
MDL Number
MFCD00274361
PubChem SID
160987637
PubChem CID
83811

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83811 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.0977573  LogD (pH = 7.4) -3.0845945 
Log P 0.79457057  Molar Refractivity 52.1212 cm3
Polarizability 20.803844 Å3 Polar Surface Area 38.05 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
97% 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