Basic information
- CAS
603-51-0- Standard SMILES
NNC(=O)N(c1ccccc1)c1ccccc1- InChIKey
VVVFQQJJJRFDTE-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- 4,4-Diphenylsemicarbazide
- IUPAC
- 3-amino-1,1-diphenylurea
- English name
- 4,4-Diphenylsemicarbazide
- Molecular formula
- C13H13N3O
- Molecular weight
- 227.26
Names & synonyms
N,N-Diphenylhydrazinecarboxamide603-51-04,4-DiphenylsemicarbazideHydrazinecarboxamide, N,N-diphenyl-Semicarbazide, 4,4-diphenyl-QA7TGP7XIRNSC 8717UNII-QA7TGP7XIRNSC-8717EINECS 210-046-5NSC 47698NSC-47698
Show more names
4,4-Diphenyl-semicarbazol4,4-Diphenylsemicarbazide,98%4 4-DIPHENYLSEMICARBAZIDE 98%n,n-diphenyl-hydrazinecarboxamid
AI3-52365DTXSID8060531RefChem:96379DTXCID6042789Semicarbazide, 4,4-diphenyl-(8CI)210-046-5VVVFQQJJJRFDTE-UHFFFAOYSA-N3-amino-1,1-diphenylurea
Database identifiers
- CAS
603-51-0- PubChem CID
- 69049
- DTXSID
DTXSID8060531- UNII
- QA7TGP7XIR
- EC Number
- 210-046-5
- Nikkaji
- J134.756J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 151 · 151-152 °C(lit.)
- Boiling point
- 368.98 °C · 368.98°C (rough estimate)
- Density
- 1.1267 · 1.1267 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.25 · 12.25±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C13H13N3O/c14-15-13(17)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2,(H,15,17)
- SMILES
- O=C(NN)N(C1=CC=CC=C1)C2=CC=CC=C2
- FDA UNII
- 7 TGP7XIR · QA7TGP7XIR
- EPA Substance Registry System
- Hydrazinecarboxamide, N,N-diphenyl- (603-51-0)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydrazinecarboxamide, N,N-diphenyl-: INACTIVE
Suppliers20 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
Related reactions
1 records
Compound notes
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