Basic information
- CAS
638-42-6- Standard SMILES
CCCCCOC(N)=O- InChIKey
MYDQAEQZZKVJSL-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- Pentyl carbamate
- IUPAC
- pentyl carbamate
- English name
- Carbamic acid amyl ester
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
Pentyl carbamateAmyl carbamate638-42-6Carbamic acid, pentyl ester1VR9OK19DRNSC-57861n-pentyl carbamateNSC 57861pent-1-yl carbamate1-Pentanol, carbamateCarbamic acid, pentyl ester (8CI)(9CI)UNII-1VR9OK19DR
Show more names
Carbamic acid amylCarbamic acid pentylCarbamic acid amyl esterCarbamic acid pentyl ester
SCHEMBL28184SCHEMBL42379SCHEMBL2089934SCHEMBL4552841SCHEMBL4881221CHEMBL3272404DTXSID90213243NSC57861
Database identifiers
- CAS
638-42-6- PubChem CID
- 69490
- DTXSID
DTXSID90213243- ChEMBL
CHEMBL3272404- UNII
- 1VR9OK19DR
- Nikkaji
- J845A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Experimental & physicochemical properties
LogP1.35
Physicochemical properties
- Melting point
- 61 °C · 61 °C
- Boiling point
- 217.35 °C · 217.35°C (estimate)
- Density
- 0.9921 · 0.9921 (estimate)
- refractive index
- 1.4184 · 1.4184 (estimate)
- pka
- 13.51 · 13.51±0.50(Predicted)
- Water Solubility
- 4.46 g/L · 4.46g/L(37 ºC)
- FDA UNII
- 1 VR9OK19DR · 1VR9OK19DR
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Related reactions
1 records
Compound notes
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