1-(Carbobutoxy)ethyl N-(3-chlorophenyl)carbamate
Basic information
- CAS
106320-92-7- Standard SMILES
CCCCOC(=O)C(C)OC(=O)Nc1cccc(Cl)c1- InChIKey
NTQRSNGITNDNRT-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0924357
Names & identifiers
- Preferred name
- 1-(Carbobutoxy)ethyl N-(3-chlorophenyl)carbamate
- IUPAC
- butyl 2-[(3-chlorophenyl)carbamoyloxy]propanoate
Names & synonyms
106320-92-7RefChem:4274231-(carbobutoxy)ethyl n-(3-chlorophenyl)carbamate683-007-7Butyl 2-(((3-chlorophenyl)carbamoyl)oxy)propanoatebutyl 2-{[(3-chlorophenyl)carbamoyl]oxy}propanoateNSC163079AKOS024332135NSC-163079butyl 2-{[(3-chloroanilino)carbonyl]oxy}propanoate
Database identifiers
- CAS
106320-92-7- PubChem CID
- 294501
- EC Number
- 683-007-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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