Basic information
- CAS
21091-61-2- Standard SMILES
NCCN1CCN(c2ccccc2)CC1- InChIKey
JQIZYQKCPLKROQ-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789761
Names & identifiers
- Preferred name
- 2-(4-Phenylpiperazin-1-yl)ethan-1-amine
- IUPAC
- 2-(4-phenylpiperazin-1-yl)ethanamine
- English name
- 2-(4-PHENYLPIPERAZIN-1-YL)ETHANAMINE
- Molecular formula
- C12H19N3
- Molecular weight
- 205.3
Names & synonyms
2-(4-phenylpiperazin-1-yl)ethan-1-amineRefChem:458299834-050-72-(4-phenylpiperazin-1-yl)ethanamine21091-61-2MFCD030303964-PHENYL-1-PIPERAZINEETHANAMINE[2-(4-phenylpiperazin-1-yl)ethyl]amine1-(2-Aminoethyl)-4-phenylpiperazine4-PHENYL-1-PIPERAZINE ETHANAMINESCHEMBL658968F2187-2219
Show more names
OTAVA-BB 70206903961-Piperazineethanamine, 4-phenyl-2-(4-PHENYL-PIPERAZIN-1-YL)-ETHYLAMINE2-(4-phenylpiperazin-1-yl)ethanamine HCl
SCHEMBL7413202SCHEMBL106845654-phenylpiperazin-1-ylethylamineDTXSID20406308JQIZYQKCPLKROQ-UHFFFAOYSA-NHMS5190I15ALBB-0210572-(4-Phenyl-1-piperazinyl)ethanamine
Database identifiers
- CAS
21091-61-2- PubChem CID
- 4742503
- DTXSID
DTXSID20406308- EC Number
- 834-050-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 175 · 175-180 °C(Press: 0.5 Torr)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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]
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 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东春雨精细化工有限责任公司13561220159 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
南京百安迈生物医药科技有限公司18066080842 13952020641 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
43 records
Compound notes
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