Basic information
- CAS
306935-30-8- Standard SMILES
N#Cc1nccnc1N1CCNCC1- InChIKey
WPPOBKHQDPIZPS-UHFFFAOYSA-N- Molecular formula
- C9H11N5
- Average molar mass
- 189.22 g/mol
- Monoisotopic mass
- 189.10144535
Names & identifiers
- Preferred name
- 3-(Piperazin-1-yl)pyrazine-2-carbonitrile
- IUPAC
- 3-piperazin-1-ylpyrazine-2-carbonitrile
- English name
- 3-Piperazin-1ylpyrazine-2-carbonitrile
- Molecular formula
- C9H11N5
- Molecular weight
- 189.22
Names & synonyms
306935-30-83-(Piperazin-1-yl)pyrazine-2-carbonitrile3-Piperazin-1ylpyrazine-2-carbonitrile3-piperazin-1-ylpyrazine-2-carbonitrile2-Pyrazinecarbonitrile, 3-(1-piperazinyl)-MFCD007288132-cyano-3-(piperazin-1-yl)pyrazineOprea1_570871SCHEMBL3453428DTXSID809529373-piperazinylpyrazine-2-carbonitrileSBB090972
Show more names
BUTTPARK 33\04-563-piperazinopyrazine-2-carbonitrile3-(1-piperazinyl)-2-pyrazinecarbonitrilePyrazinecarbonitrile, 3-(1-piperazinyl)- (9CI)3-(piperazin-1-yl)pyrazine-2-carbonitrile hydrochloride
AKOS009158753FS-56846620-19-5DB-047848CS-0327993EN300-2714761F017324
Database identifiers
- CAS
306935-30-8- PubChem CID
- 2760441
- DTXSID
DTXSID80952937- EC Number
- 673-084-5
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 76 · 76-79
- Boiling point
- 406.4 · 406.4±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933599590 · 2933599590
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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