N-Phenylguanidine
Basic information
- CAS
2002-16-6- Standard SMILES
NC(N)=Nc1ccccc1- InChIKey
QRJZGVVKGFIGLI-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.0796473
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- N-Phenylguanidine
- IUPAC
- 2-phenylguanidine
- English name
- 1-phenylguanidine
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
2002-16-6PhenylguanidineN-PhenylguanidineDTXSID70173836RefChem:173071DTXCID3096327217-898-71-Phenylguanidine2-phenylguanidineGUANIDINE, PHENYL-Guanidine, N-phenyl-alpha-Phenylguanidine
Show more names
phenyl guanidine phenyl guanidine
MFCD00092876N-Phenyl-guanidineCHEMBL14047guanidine, N-phenyl-, carbonate(1:1)EINECS 217-898-7phenyl guanidineMonophenylguanidinN-phenyl guanidine
Database identifiers
- CAS
2002-16-6- PubChem CID
- 16157
- DTXSID
DTXSID70173836- ChEMBL
CHEMBL14047- EC Number
- 217-898-7
- Nikkaji
- J49.264G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LogP0.53
Physicochemical properties
- Melting point
- 222 °C · 222 °C
- Boiling point
- 231.9 · 231.9±23.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1 · pK1:10.77(+1) (25°C)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H411
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H411
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesPhenylguanidine is used to prepare (4-Aminomethyl)phenylguanidine derivative, which is a nonpeptidic highly selective inhibitor of human urokinase. A series of substituted phenylguanidine compounds are selective inhibitors of urokinase.
Upstream & downstream products
Upstream raw materials
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Compound notes
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