[2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid benzyl ester
Basic information
- CAS
145881-74-9- Standard SMILES
O=C(NCCOCCO)OCc1ccccc1- InChIKey
NFPGZLVPTVWFSY-UHFFFAOYSA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.11575802
Names & identifiers
- Preferred name
- [2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid benzyl ester
- IUPAC
- benzyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
- English name
- benzyl 2-(2-hydroxyethoxy)ethylcarbaMate
- Molecular formula
- C12H17NO4
- Molecular weight
- 239.27
Names & synonyms
145881-74-9[2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid benzyl esterBenzyl 2-(2-hydroxyethoxy)ethylcarbamateBenzyl N-[2-(2-hydroxyethoxy)ethyl]carbamate2-[2-(Cbz-amino)ethoxy]ethanolMFCD15143230Cbz-2-(2-hydroxyethoxy)ethanamineCBZNH-PEG2-OHbenzyl (2-(2-hydroxyethoxy)ethyl)carbamateCarbamic acid, N-[2-(2-hydroxyethoxy)ethyl]-, phenylmethyl esterBenzaldehyde,3-bromo-2-fluoro-7-(trifluoromethyl)-[2-(2-Hydroxy-ethoxy)-ethyl]-carbamic acid benzylester
Show more names
NAG-TetherPEG2-NH-Cbzbenzyl 2-(2-hydroxyethoxy)ethylcarbalate
Benzyl [2-(2-hydroxyethoxy)ethyl]carbamateorb3175727SCHEMBL1699791CBZ-NH-CH2CH2OCH2CH2-OHCBZ-NH-CH2-CH2-OCH2CH2-OHAKOS009220137BP-14042DA-10169
Database identifiers
- CAS
145881-74-9- PubChem CID
- 11064482
- EC Number
- 808-807-7
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 420.6 · 420.6±35.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.99 · 11.99±0.46(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C12H17NO4/c14-7-9-16-8-6-13-12(15)17-10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,13,15)
- InChIKey
- NFPGZLVPTVWFSY-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)NCCOCCO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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