Home > Compound List > Compound details
76935-75-6 molecular structure
click picture or here to close

3-(2-aminoethyl)aniline

ChemBase ID: 812409
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
Nc1cc(ccc1)CCN
Canonical SMILES:
NCCc1cccc(c1)N
InChI:
InChI=1S/C8H12N2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5,9-10H2
InChIKey:
LJQFYBCLMVVNAQ-UHFFFAOYSA-N

Cite this record

CBID:812409 http://www.chembase.cn/molecule-812409.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-aminoethyl)aniline
IUPAC Traditional name
3-(2-aminoethyl)aniline
Synonyms
3-(2-AMINO-ETHYL)-ANILINE
CAS Number
76935-75-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32509 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32509 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) -2.5088458  LogD (pH = 7.4) -1.7543794 
Log P 0.5587495  Molar Refractivity 43.9868 cm3
Polarizability 16.625767 Å3 Polar Surface Area 52.04 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