Home > Compound List > Compound details
1071829-81-6 molecular structure
click picture or here to close

(3S)-oxan-3-amine hydrochloride

ChemBase ID: 797910
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
Cl.O1C[C@H](CCC1)N
Canonical SMILES:
N[C@H]1CCCOC1.Cl
InChI:
InChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H/t5-;/m0./s1
InChIKey:
RETPVBQTPDYSBS-JEDNCBNOSA-N

Cite this record

CBID:797910 http://www.chembase.cn/molecule-797910.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-oxan-3-amine hydrochloride
IUPAC Traditional name
(3S)-oxan-3-amine hydrochloride
Synonyms
(S)-tetrahydro-2H-pyran-3-amine hydrochloride
CAS Number
1071829-81-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10001 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10001 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) -3.212802  LogD (pH = 7.4) -2.454153 
Log P -0.20686984  Molar Refractivity 28.1735 cm3
Polarizability 11.428371 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% 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