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1060804-27-4 molecular structure
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6-[(methylamino)methyl]pyridin-3-amine

ChemBase ID: 815031
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
n1cc(ccc1CNC)N
Canonical SMILES:
CNCc1ccc(cn1)N
InChI:
InChI=1S/C7H11N3/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5,8H2,1H3
InChIKey:
ZHPQBBSVQGNAPA-UHFFFAOYSA-N

Cite this record

CBID:815031 http://www.chembase.cn/molecule-815031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[(methylamino)methyl]pyridin-3-amine
IUPAC Traditional name
6-[(methylamino)methyl]pyridin-3-amine
Synonyms
6-((methylamino)methyl)pyridin-3-amine
CAS Number
1060804-27-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37280 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37280 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) -3.2804298  LogD (pH = 7.4) -1.6296246 
Log P -0.43353185  Molar Refractivity 41.3273 cm3
Polarizability 15.777707 Å3 Polar Surface Area 50.94 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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