Ethyl 1-(hydroxymethyl)-propylcarbamate
Basic information
- CAS
13973-23-4- Standard SMILES
CCOC(=O)NC(CC)CO- InChIKey
NWXGDPDBQOTZRZ-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- Ethyl 1-(hydroxymethyl)-propylcarbamate
- IUPAC
- ethyl N-(1-hydroxybutan-2-yl)carbamate
- English name
- Ethyl 1-(hydroxymethyl)-propylcarbamate
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
ETHYL 1-(HYDROXYMETHYL)-PROPYLCARBAMATERefChem:593276654-521-913973-23-4ethyl N-(1-hydroxybutan-2-yl)carbamateCarbamic acid, [1-(hydroxymethyl)propyl]-, ethyl esterNSC163917SCHEMBL9637270DTXSID10304021NWXGDPDBQOTZRZ-UHFFFAOYSA-Nethyl (1-hydroxybutan-2-yl)carbamateAKOS009301472
Show more names
Carbamic acid, [1-(hydroxymethyl)propyl]-, ethyl ester (6CI,7CI,8CI,9CI)
Ethyl 1-(Hydroxymethyl)propylcarbamateethyl 1-ethyl-2-hydroxy-ethylcarbamateNSC-163917
Database identifiers
- CAS
13973-23-4- PubChem CID
- 294850
- DTXSID
DTXSID10304021- EC Number
- 654-521-9
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 115 · 115-117 °C(Press: 2 Torr)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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