Basic information
- CAS
770699-74-6- Standard SMILES
NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
TZTUJDIMXLUCTG-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O
- Average molar mass
- 253.73 g/mol
- Monoisotopic mass
- 253.0981898
Names & identifiers
- Preferred name
- 2-Amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
- IUPAC
- 2-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
Names & synonyms
2-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one770699-74-62-amino-1-(4-(4-chlorophenyl)piperazin-1-yl)ethan-1-oneRefChem:463098984-979-82-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanoneCHEMBL4572518AKOS009292430CS-0252892EN300-61918G20043Z381033368
Database identifiers
- CAS
770699-74-6- PubChem CID
- 22633065
- ChEMBL
CHEMBL4572518- EC Number
- 984-979-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Related reactions
1 records
Compound notes
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