Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester
Basic information
- CAS
16253-32-0- Standard SMILES
CNC(=O)OCC#CCN1CCCC1- InChIKey
RXERGIYKNYMWOU-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.12117776
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester
- IUPAC
- 4-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate
- English name
- 4-(1-Pyrrolidinyl)-2-butynyl=N-methylcarbamate
- Molecular formula
- C10H16N2O2
- Molecular weight
- 196.25
Names & synonyms
16253-32-0BRN 1370819CARBAMIC ACID, METHYL-, 4-(1-PYRROLIDINYL)-2-BUTYNYL ESTERMethylcarbamic acid 4-(1-pyrrolidinyl)-2-butynyl esterDTXSID20167386RefChem:332546DTXCID30898774-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate4-(pyrrolidin-1-yl)but-2-yn-1-yl methylcarbamate4-(1-Pyrrolidinyl)-2-butynyl=N-methylcarbamate2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, 1-(N-methylcarbamate)
Database identifiers
- CAS
16253-32-0- PubChem CID
- 27771
- DTXSID
DTXSID20167386- Nikkaji
- J69.366I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 322.1 · 322.1±27.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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