Home > Compound List > Compound details
354824-17-2 molecular structure
click picture or here to close

5-(aminomethyl)-N,N-dimethylpyridin-2-amine

ChemBase ID: 48557
Molecular Formular: C8H13N3
Molecular Mass: 151.20892
Monoisotopic Mass: 151.11094743
SMILES and InChIs

SMILES:
n1c(N(C)C)ccc(c1)CN
Canonical SMILES:
NCc1ccc(nc1)N(C)C
InChI:
InChI=1S/C8H13N3/c1-11(2)8-4-3-7(5-9)6-10-8/h3-4,6H,5,9H2,1-2H3
InChIKey:
YJIDKQVYACIBPR-UHFFFAOYSA-N

Cite this record

CBID:48557 http://www.chembase.cn/molecule-48557.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(aminomethyl)-N,N-dimethylpyridin-2-amine
IUPAC Traditional name
5-(aminomethyl)-N,N-dimethylpyridin-2-amine
Synonyms
5-(Aminomethyl)-N,N-dimethyl-2-pyridinamine
5-(aminomethyl)-N,N-dimethylpyridin-2-amine
CAS Number
354824-17-2
MDL Number
MFCD08272104
PubChem SID
162053320
PubChem CID
16788596

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4220965  LogD (pH = 7.4) -1.2826945 
Log P 0.58384323  Molar Refractivity 47.1166 cm3
Polarizability 17.619976 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.311 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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