Home > Compound List > Compound details
5471-54-5 molecular structure
click picture or here to close

1-cyclohexylpropan-2-amine hydrochloride

ChemBase ID: 289101
Molecular Formular: C9H20ClN
Molecular Mass: 177.7148
Monoisotopic Mass: 177.12842733
SMILES and InChIs

SMILES:
CC(N)CC1CCCCC1.Cl
Canonical SMILES:
CC(CC1CCCCC1)N.Cl
InChI:
InChI=1S/C9H19N.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h8-9H,2-7,10H2,1H3;1H
InChIKey:
PPXNTFHIFWDWGS-UHFFFAOYSA-N

Cite this record

CBID:289101 http://www.chembase.cn/molecule-289101.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexylpropan-2-amine hydrochloride
IUPAC Traditional name
1-cyclohexylpropan-2-amine hydrochloride
Synonyms
1-Cyclohexylpropan-2-amine hydrochloride
CAS Number
5471-54-5
MDL Number
MFCD01734732
PubChem SID
180674632
PubChem CID
115664

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD216098 Please log in.
Data Source Data ID
PubChem 115664 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7555434  LogD (pH = 7.4) -0.45523572 
Log P 2.2720144  Molar Refractivity 44.7606 cm3
Polarizability 18.13941 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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