2-{[(Tert-butoxy)carbonyl](2-{[(tert-butoxy)carbonyl]amino}ethyl)amino}acetic acid
Basic information
- CAS
70889-73-5- Standard SMILES
CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OC(C)(C)C- InChIKey
DFWRBBNIVJZTJX-UHFFFAOYSA-N- Molecular formula
- C14H26N2O6
- Average molar mass
- 318.37 g/mol
- Monoisotopic mass
- 318.17908655
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl](2-{[(tert-butoxy)carbonyl]amino}ethyl)amino}acetic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
- English name
- N-Boc-N-[2-(Boc-amino)ethyl]glycine
- Molecular formula
- C14H26N2O6
- Molecular weight
- 318.37
Names & synonyms
70889-73-52-{[(tert-butoxy)carbonyl](2-{[(tert-butoxy)carbonyl]amino}ethyl)amino}acetic acid2-(((tert-butoxy)carbonyl)(2-(((tert-butoxy)carbonyl)amino)ethyl)amino)acetic acidRefChem:446986835-688-9N-Boc-N-[2-(Boc-amino)ethyl]glycineMFCD244660132-(tert-Butoxycarbonyl(2-(tert-butoxycarbonylamino)ethyl)amino)acetic acid2-((tert-Butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)acetic acid2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acidSCHEMBL3989296DFWRBBNIVJZTJX-UHFFFAOYSA-N
Show more names
n-(tert-butoxycarbonyl)-n-(2-((tert-butoxycarbonyl)amino)ethyl)glycineGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
VCA88973AKOS033544713CS-0434227D84519EN300-136850F763160Z15086882492-[tert-butoxycarbonyl-[2-(tert-butoxycarbonylamino)ethyl]amino]acetic acid
Database identifiers
- CAS
70889-73-5- PubChem CID
- 11631103
- EC Number
- 835-688-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 139 · 139-140 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 457.8 · 457.8±38.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.97 · 3.97±0.10(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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