Home > Compound List > Compound details
14062-34-1 molecular structure
click picture or here to close

3-aminobenzohydrazide

ChemBase ID: 251104
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
C(=O)(c1cc(N)ccc1)NN
Canonical SMILES:
NNC(=O)c1cccc(c1)N
InChI:
InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
InChIKey:
JSIVTKBYJLGBPY-UHFFFAOYSA-N

Cite this record

CBID:251104 http://www.chembase.cn/molecule-251104.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminobenzohydrazide
IUPAC Traditional name
3-aminobenzoylhydrazine
Synonyms
3-Aminobenzhydrazide
3-aminobenzohydrazide
3-氨基苯甲酰肼
CAS Number
14062-34-1
EC Number
237-907-8
MDL Number
MFCD00017067
Beilstein Number
2090097
PubChem SID
164307014
PubChem CID
84178

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 84178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.5901375  H Acceptors
H Donor LogD (pH = 5.5) -0.30441093 
LogD (pH = 7.4) -0.3015521  Log P -0.30151555 
Molar Refractivity 44.3209 cm3 Polarizability 15.733023 Å3
Polar Surface Area 81.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90-94°C expand Show data source
91 - 93°C expand Show data source
Hydrophobicity(logP)
-0.642 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% 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