Home > Compound List > Compound details
49800-23-9 molecular structure
click picture or here to close

1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

ChemBase ID: 151253
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
c1ccc2c(c1)CCCC2N.Cl
Canonical SMILES:
NC1CCCc2c1cccc2.Cl
InChI:
InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
InChIKey:
DETWFIUAXSWCIK-UHFFFAOYSA-N

Cite this record

CBID:151253 http://www.chembase.cn/molecule-151253.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
IUPAC Traditional name
1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
Synonyms
1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride
1,2,3,4-四氢-1-萘胺 盐酸盐
CAS Number
49800-23-9
MDL Number
MFCD00051984
PubChem SID
162245409
24850630
PubChem CID
10192609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
177350 external link Add to cart Please log in.
Data Source Data ID
PubChem 10192609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.92047  LogD (pH = 7.4) -0.19281884 
Log P 2.0878072  Molar Refractivity 46.7132 cm3
Polarizability 18.460941 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
185-187 °C(lit.) expand Show data source
Density
0.974 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C10H13N · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 177350 external link
Packaging
5 g in glass bottle

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