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143949-72-8 molecular structure
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3-(1H-1,3-benzodiazol-2-yl)propanehydrazide

ChemBase ID: 311211
Molecular Formular: C10H12N4O
Molecular Mass: 204.22848
Monoisotopic Mass: 204.10111102
SMILES and InChIs

SMILES:
n1c([nH]c2c1cccc2)CCC(=O)NN
Canonical SMILES:
NNC(=O)CCc1nc2c([nH]1)cccc2
InChI:
InChI=1S/C10H12N4O/c11-14-10(15)6-5-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChIKey:
VYVKZESRBPHWIL-UHFFFAOYSA-N

Cite this record

CBID:311211 http://www.chembase.cn/molecule-311211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1H-1,3-benzodiazol-2-yl)propanehydrazide
IUPAC Traditional name
3-(1H-1,3-benzodiazol-2-yl)propanehydrazide
Synonyms
3-(1H-benzimidazol-2-yl)propanohydrazide
CAS Number
143949-72-8
MDL Number
MFCD01191985

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.13222489  LogD (pH = 7.4) 0.09997814 
Log P 0.10401317  Molar Refractivity 56.6088 cm3
Polarizability 22.801762 Å3 Polar Surface Area 83.8 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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