Basic information
- CAS
67455-41-8- Standard SMILES
Nc1ccc(N2CCNCC2)cc1- InChIKey
VAVOYRCCWLRTMS-UHFFFAOYSA-N- Molecular formula
- C10H15N3
- Average molar mass
- 177.25 g/mol
- Monoisotopic mass
- 177.12659748
Names & identifiers
- Preferred name
- 1-(4-Aminophenyl)piperazine
- IUPAC
- 4-piperazin-1-ylaniline
- English name
- 4-Piperazin-1-yl-phenylamine
- Molecular formula
- C10H15N3
- Molecular weight
- 177.25
Names & synonyms
67455-41-81-(4-Aminophenyl)piperazineDTXSID60329709RefChem:224805DTXCID20280807624-685-64-(Piperazin-1-yl)aniline4-piperazin-1-ylaniline4-Piperazin-1-yl-phenylamineBenzenamine,4-(1-piperazinyl)-4-(1-piperazinyl)anilineMFCD01365906
Show more names
TIMTEC-BB SBB0106194-PIPERAZINOANILINE4-(Piperzin-1yl)aniline4-(1-Piperazinyl)aniline, 97%1-(4-AMinophenyl)piperazine 97%
1-(4-Amino-phenyl)-piperazine4-(4-AMINOPHENYL)PIPERAZINE4-piperazinylphenylamineChemDiv3_0140961-(p-Aminophenyl)piperazineOprea1_209661Oprea1_539427SCHEMBL531923
Database identifiers
- CAS
67455-41-8- PubChem CID
- 422925
- DTXSID
DTXSID60329709- ChEMBL
CHEMBL2335385- EC Number
- 624-685-6
- Nikkaji
- J1.147.130G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 119 · 119-123 °C (lit.)
- Boiling point
- 380.2 · 380.2±27.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.12 · 9.12±0.10(Predicted)
- form
- Powder
- color
- White to purple
- InChI
- 1S/C10H15N3/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
- InChIKey
- VAVOYRCCWLRTMS-UHFFFAOYSA-N
- SMILES
- Nc1ccc(cc1)N2CCNCC2
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P280a-P301+P310a-P405-P501a
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 2 · 2
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H301-H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338-P280a-P301+P310a-P405-P501a
Chemistry & industry
Applications
Uses4-Piperazinoaniline(CAS#67455-41-8)is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers65 total
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Related reactions
2 records
Compound notes
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