Basic information
- CAS
29672-19-3- Standard SMILES
CNC(=O)ON=CC(C)(C)CCC#N- InChIKey
FWISWWONCDDGEX-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.11642673
Names & identifiers
- Preferred name
- 4,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile
- IUPAC
- [(4-cyano-2,2-dimethylbutylidene)amino] N-methylcarbamate
- English name
- NITRILACARB
- Molecular formula
- C9H15N3O2
- Molecular weight
- 197.23
Names & synonyms
SCHEMBL67416624,4-Dimethyl-5-{[(methylcarbamoyl)oxy]imino}pentanenitrile[(4-cyano-2,2-dimethyl-butylidene)amino] N-methylcarbamate4,4-Dimethyl-5-[[(N-methylcarbamoyl)oxy]imino]pentanenitrilePentanenitrile, 4,4-dimethyl-5-[[[(methylamino)carbonyl]oxy]imino]-
Database identifiers
- CAS
29672-19-3- PubChem CID
- 42686
- DTXSID
DTXSID4042204
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- FDA UNII
- 17 QYK0U2Z · N17QYK0U2Z
- EPA Substance Registry System
- Nitrilacarb (29672-19-3)
- RIDADR
- 2757 · 2757
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
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
- ridadr
- 2757
- hazard_class
- 6.1(a)
- packing_group
- II
Chemistry & industry
Suppliers4 total
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
Additional notes
DefinitionChEBI: Nitrilacarb is an oxime O-ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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