Home > Compound List > Compound details
32868-32-9 molecular structure
click picture or here to close

4-[2-(methylamino)ethyl]aniline

ChemBase ID: 811048
Molecular Formular: C9H14N2
Molecular Mass: 150.22086
Monoisotopic Mass: 150.11569846
SMILES and InChIs

SMILES:
Nc1ccc(cc1)CCNC
Canonical SMILES:
CNCCc1ccc(cc1)N
InChI:
InChI=1S/C9H14N2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3
InChIKey:
NNIPOYNUFNLQMO-UHFFFAOYSA-N

Cite this record

CBID:811048 http://www.chembase.cn/molecule-811048.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(methylamino)ethyl]aniline
IUPAC Traditional name
4-[2-(methylamino)ethyl]aniline
Synonyms
4-(2-METHYLAMINO-ETHYL)-PHENYLAMINE
CAS Number
32868-32-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30063 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30063 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) -2.2907867  LogD (pH = 7.4) -1.6748381 
Log P 0.9913299  Molar Refractivity 48.7614 cm3
Polarizability 18.471622 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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