Home > Compound List > Compound details
53485-07-7 molecular structure
click picture or here to close

N-(3-aminopropyl)-N-methylaniline

ChemBase ID: 13361
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
c1cccc(c1)N(CCCN)C
Canonical SMILES:
NCCCN(c1ccccc1)C
InChI:
InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKey:
WGHBKYWUOOANEX-UHFFFAOYSA-N

Cite this record

CBID:13361 http://www.chembase.cn/molecule-13361.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-aminopropyl)-N-methylaniline
IUPAC Traditional name
N-(3-aminopropyl)-N-methylaniline
Synonyms
N1-methyl-N1-phenylpropane-1,3-diamine
N-*1*-Methyl-N*1*-phenyl-propane-1,3-diamine
N-(3-AMINOPROPYL)-N-METHYLANILINE
CAS Number
53485-07-7
2491-18-1
MDL Number
MFCD00191602
PubChem SID
160976668
PubChem CID
577774

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7427517  LogD (pH = 7.4) -0.98152876 
Log P 1.3442656  Molar Refractivity 53.3018 cm3
Polarizability 20.40045 Å3 Polar Surface Area 29.26 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
98% 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