Home > Compound List > Compound details
890-51-7 molecular structure
click picture or here to close

(NZ)-N-(phenylmethylidene)naphthalen-1-amine

ChemBase ID: 100984
Molecular Formular: C17H13N
Molecular Mass: 231.29182
Monoisotopic Mass: 231.10479942
SMILES and InChIs

SMILES:
N(=C\c1ccccc1)\c1c2c(ccc1)cccc2
Canonical SMILES:
c1ccc(cc1)/C=N\c1cccc2c1cccc2
InChI:
InChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13-
InChIKey:
NQPYSYDZNCHIQY-AQTBWJFISA-N

Cite this record

CBID:100984 http://www.chembase.cn/molecule-100984.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(NZ)-N-(phenylmethylidene)naphthalen-1-amine
IUPAC Traditional name
(NZ)-N-(phenylmethylidene)naphthalen-1-amine
Synonyms
N-(1-naphthyl)-N-(phenylmethylene)amine
CAS Number
890-51-7
MDL Number
MFCD02235774
PubChem SID
162086790
PubChem CID
1201463

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
AC33318 external link Add to cart Please log in.
Data Source Data ID
PubChem 1201463 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8368015  LogD (pH = 7.4) 4.8369813 
Log P 4.8369837  Molar Refractivity 77.8378 cm3
Polarizability 30.185335 Å3 Polar Surface Area 12.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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