tert-Butyl (3-cyanopropyl)(methyl)carbamate
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Basic information
- CAS
1379225-92-9- Standard SMILES
CN(CCCC#N)C(=O)OC(C)(C)C- InChIKey
GSLUENRBHZHLRR-UHFFFAOYSA-N- Molecular formula
- C10H18N2O2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.13682782
Names & identifiers
- Preferred name
- tert-Butyl (3-cyanopropyl)(methyl)carbamate
- IUPAC
- tert-butyl N-(3-cyanopropyl)-N-methylcarbamate
- English name
- tert-butyl N-(3-cyanopropyl)-N-methylcarbamate
- Molecular formula
- C10H18N2O2
- Molecular weight
- 198.26
Names & synonyms
1379225-92-9tert-Butyl (3-cyanopropyl)(methyl)carbamate4-[Boc(methyl)amino]butanenitriletert-Butyl 3-cyanopropylmethylcarbamateMFCD14635698tert-butyl N-(3-cyanopropyl)-N-methylcarbamateorb3176152t-Butyl 3-cyanopropylmethylcarbamatetert-Butyl(3-cyanopropyl)(methyl)carbamateA10172tert-butyl N-(3-cyanopropyl)-N-methyl-carbamateF529879
Show more names
4-[N-Boc-(methylamino)]butanenitrileCarbamic acid, N-(3-cyanopropyl)-N-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1379225-92-9- PubChem CID
- 124705967
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 299.2 · 299.2±19.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- -1.41 · -1.41±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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