Home > Compound List > Compound details
885523-70-6 molecular structure
click picture or here to close

[2-(aminomethyl)pyridin-3-yl]methanol

ChemBase ID: 810558
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
NCc1ncccc1CO
Canonical SMILES:
NCc1ncccc1CO
InChI:
InChI=1S/C7H10N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,10H,4-5,8H2
InChIKey:
VHJRBWKKDIFLHQ-UHFFFAOYSA-N

Cite this record

CBID:810558 http://www.chembase.cn/molecule-810558.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(aminomethyl)pyridin-3-yl]methanol
IUPAC Traditional name
[2-(aminomethyl)pyridin-3-yl]methanol
Synonyms
3-(HYDROXYMETHYL)-2-PYRIDINEMETHYLAMINE
CAS Number
885523-70-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29249 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29249 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.6132555  H Acceptors
H Donor LogD (pH = 5.5) -3.2950797 
LogD (pH = 7.4) -1.6114182  Log P -0.80453604 
Molar Refractivity 38.6682 cm3 Polarizability 15.24662 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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