Basic information
- CAS
10017-05-7- Standard SMILES
CCC(C)=NC- InChIKey
SPEFTWCKOFCJBY-UHFFFAOYSA-N- Molecular formula
- C5H11N
- Average molar mass
- 85.15 g/mol
- Monoisotopic mass
- 85.08914936
Names & identifiers
- Preferred name
- N-(1-Methylpropylidene)methanamine
- IUPAC
- N-methylbutan-2-imine
- English name
- (R)-2-(benzo[d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
N-(1-Methylpropylidene)methanamine3332-09-0RefChem:359952N-methylbutan-2-imine(R)-2-(benzo[d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile(2E)-N-Methylbutan-2-iminetrimethylethylimineSCHEMBL1931426SCHEMBL1931427SCHEMBL1932430SCHEMBL1932433SCHEMBL1933561
Show more names
(R)-1,3-Benzodioxole-5-acetonitrile1,3-Benzodioxole-5-acetonitrile, α-hydroxy-, (αR)-(R)-2-(Benzodioxol-5-yl)-2-hydroxyethannitril
SCHEMBL1933563SCHEMBL1933565SCHEMBL9969955SCHEMBL12299282DTXSID00348550methyl ethyl ketone N-methylimineDTXSID401297171
Database identifiers
- CAS
10017-05-7、3332-09-0- PubChem CID
- 638176
- DTXSID
DTXSID401297171- Nikkaji
- J2.227.669G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 55
Physicochemical properties
- Boiling point
- 366 · 366.0±42.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 10.5 · 10.50±0.20(Predicted)
Chemistry & industry
Suppliers5 total
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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