Basic information
- CAS
314061-78-4- Standard SMILES
CCN1CCN(c2cccc(N)c2)CC1- InChIKey
XDXZLNGWAJYQDH-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789762
Names & identifiers
- Preferred name
- 3-(4-Ethylpiperazin-1-yl)aniline
- IUPAC
- 3-(4-ethylpiperazin-1-yl)aniline
- English name
- 3-(4-Ethylpiperazin-1-yl)aniline
- Molecular formula
- C12H19N3
- Molecular weight
- 205.3
Names & synonyms
3-(4-Ethylpiperazin-1-yl)aniline314061-78-4MFCD100329823-(4-ethylpiperazin-1-yl)-anilineSCHEMBL1126080SCHEMBL2016039TQR915SCHEMBL17728862SCHEMBL30647354XDXZLNGWAJYQDH-UHFFFAOYSA-N3-(4-Ethyl-1-piperazinyl)anilinePMA06178
Show more names
Benzenamine, 3-(4-ethyl-1-piperazinyl)
3-(4-ethyl-piperazin-1-yl)-anilineAKOS009290099SB73868PS-20422SY155028DB-338901CS-0184345EN300-141266
Database identifiers
- CAS
314061-78-4- PubChem CID
- 22330105
- EC Number
- 184-115-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 365.9 · 365.9±37.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- pka
- 7.96 · 7.96±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H318-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H312-H315-H318-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Qingdao RENAS Polymer Material Co., Ltd.+86-0532-86867058 +86-18562606086 · [email protected]
Related reactions
15 records
Compound notes
Loading…