Home > Compound List > Compound details
4369-58-8 molecular structure
click picture or here to close

3-(1H-1,2,3-triazol-1-yl)propan-1-amine

ChemBase ID: 308455
Molecular Formular: C5H10N4
Molecular Mass: 126.1597
Monoisotopic Mass: 126.09054634
SMILES and InChIs

SMILES:
n1nccn1CCCN
Canonical SMILES:
NCCCn1ccnn1
InChI:
InChI=1S/C5H10N4/c6-2-1-4-9-5-3-7-8-9/h3,5H,1-2,4,6H2
InChIKey:
MRAPXKXFUVKPFR-UHFFFAOYSA-N

Cite this record

CBID:308455 http://www.chembase.cn/molecule-308455.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1H-1,2,3-triazol-1-yl)propan-1-amine
IUPAC Traditional name
3-(1,2,3-triazol-1-yl)propan-1-amine
Synonyms
3-(1H-1,2,3-triazol-1-yl)-1-propanamine
CAS Number
4369-58-8
MDL Number
MFCD09029170

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4030501 external link Add to cart
Data Source Data ID Price
ChemBridge
4030501 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) -3.742673  LogD (pH = 7.4) -3.381671 
Log P -0.716794  Molar Refractivity 46.1336 cm3
Polarizability 13.238688 Å3 Polar Surface Area 56.73 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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