Home > Compound List > Compound details
121593-91-7 molecular structure
click picture or here to close

N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

ChemBase ID: 310717
Molecular Formular: C17H24N2O2
Molecular Mass: 288.38466
Monoisotopic Mass: 288.18377802
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2NCC(OC)OC)cc(cc3)C
Canonical SMILES:
COC(CNC1CCCc2c1[nH]c1c2cc(cc1)C)OC
InChI:
InChI=1S/C17H24N2O2/c1-11-7-8-14-13(9-11)12-5-4-6-15(17(12)19-14)18-10-16(20-2)21-3/h7-9,15-16,18-19H,4-6,10H2,1-3H3
InChIKey:
GSXRCCZMEJMMRI-UHFFFAOYSA-N

Cite this record

CBID:310717 http://www.chembase.cn/molecule-310717.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
IUPAC Traditional name
N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Synonyms
N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CAS Number
121593-91-7
MDL Number
MFCD00584106

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5259158 external link Add to cart
Data Source Data ID Price
ChemBridge
5259158 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) 0.6179297  LogD (pH = 7.4) 2.3351367 
Log P 3.2844992  Molar Refractivity 84.3176 cm3
Polarizability 34.150238 Å3 Polar Surface Area 46.28 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