1-(Butan-2-yl)-2-isocyanobenzene
Basic information
- CAS
602262-04-4- Standard SMILES
[C-]#[N+]c1ccccc1C(C)CC- InChIKey
WQJPMLMEUPMPRO-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 1-(Butan-2-yl)-2-isocyanobenzene
- IUPAC
- 1-butan-2-yl-2-isocyanobenzene
- English name
- Benzene, 1-isocyano-2-(1-methylpropyl)- (9CI)
- Molecular formula
- C11H13N
- Molecular weight
- 159.22762
Names & synonyms
602262-04-41-(butan-2-yl)-2-isocyanobenzeneDTXSID50398247RefChem:226294DTXCID803491062-sec-butylphenyl isocyanide1-butan-2-yl-2-isocyanobenzene1-(sec-butyl)-2-isocyanobenzeneBENZENE, 1-ISOCYANO-2-(1-METHYLPROPYL)-Benzene, 1-isocyano-2-(1-methylpropyl)- (9CI)2-sec-butylphenylisocyanide1-sec-butyl-2-isocyanobenzene
Show more names
1-isocyano-2-sec-butyl-benzeneSCHEMBL29953268MFCD02664609AKOS005144169DB-285288
Database identifiers
- CAS
602262-04-4- PubChem CID
- 3960411
- DTXSID
DTXSID50398247
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- HS Code
- 2929900090 · 2929900090
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
- 2929900090
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Related reactions
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Compound notes
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