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5351-17-7 molecular structure
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4-aminobenzohydrazide

ChemBase ID: 21486
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
C(=O)(c1ccc(N)cc1)NN
Canonical SMILES:
NNC(=O)c1ccc(cc1)N
InChI:
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
InChIKey:
WPBZMCGPFHZRHJ-UHFFFAOYSA-N

Cite this record

CBID:21486 http://www.chembase.cn/molecule-21486.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminobenzohydrazide
IUPAC Traditional name
4-aminobenzoylhydrazine
Synonyms
p-AMINOBENZHYDRAZIDE
p-AMINOBENZOIC ACID HYDRAZIDE
4-Aminobenzoic hydrazide
4-Aminobenzoic acid hydrazide
(4-Aminobenzoyl)hydrazine
4-Aminobenzhydrazide
4-Aminobenzohydrazide
4-氨基苯甲酰肼
CAS Number
5351-17-7
EC Number
226-324-4
MDL Number
MFCD00007606
Beilstein Number
639053
PubChem SID
24890836
160984793
PubChem CID
21450

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.212029  H Acceptors
H Donor LogD (pH = 5.5) -0.30504432 
LogD (pH = 7.4) -0.3015601  Log P -0.30151555 
Molar Refractivity 44.3209 cm3 Polarizability 15.732221 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
225-227 °C(lit.) expand Show data source
225-230°C expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
DG2580000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
H2NC6H4C(O)NHNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220229 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05201155 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A41909 external link
Packaging
10 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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