Basic information
- CAS
136062-62-9- Standard SMILES
CN1CCN(C(N)=CC#N)CC1- InChIKey
GVRAOYISBLEJMN-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- 3-Amino-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
- IUPAC
- 3-amino-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
- English name
- 3-AMINO-3-(4-METHYLPIPERAZINO)ACRYLONITRILE
- Molecular formula
- C8H14N4
- Molecular weight
- 166.22
Names & synonyms
SCHEMBL289607823-AMINO-3-(4-METHYLPIPERAZINO)ACRYLONITRILE3-AMino-3-(4-Methylpiperazin-1-yl)acrylonitrile(E)-3-amino-3-(4-methylpiperazin-1-yl)acrylonitrile2-Propenenitrile, 3-amino-3-(4-methyl-1-piperazinyl)-(2E)-3-Amino-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
Database identifiers
- CAS
136062-62-9- PubChem CID
- 2764136
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 121 · 121-123°C
- Boiling point
- 358.4 · 358.4±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.88 · 6.88±0.42(Predicted)
- HazardClass
- IRRITANT
- 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.
Safety data
- hs_code
- 2933599590
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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