Home > Compound List > Compound details
355382-89-7 molecular structure
click picture or here to close

N-[(2-nitrophenyl)methyl]cycloheptanamine

ChemBase ID: 310905
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
[N+](=O)(c1c(CNC2CCCCCC2)cccc1)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccccc1CNC1CCCCCC1
InChI:
InChI=1S/C14H20N2O2/c17-16(18)14-10-6-5-7-12(14)11-15-13-8-3-1-2-4-9-13/h5-7,10,13,15H,1-4,8-9,11H2
InChIKey:
ZDTUMDFAPMJSSH-UHFFFAOYSA-N

Cite this record

CBID:310905 http://www.chembase.cn/molecule-310905.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-nitrophenyl)methyl]cycloheptanamine
IUPAC Traditional name
N-[(2-nitrophenyl)methyl]cycloheptanamine
Synonyms
N-(2-nitrobenzyl)cycloheptanamine
CAS Number
355382-89-7
MDL Number
MFCD01135773

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5540000 external link Add to cart
Data Source Data ID Price
ChemBridge
5540000 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) 0.5749134  LogD (pH = 7.4) 1.8093028 
Log P 3.715418  Molar Refractivity 71.2417 cm3
Polarizability 27.707966 Å3 Polar Surface Area 55.17 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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