(2-(((Benzyloxy)carbonyl)amino)ethyl)boronic acid
Basic information
- CAS
4540-87-8- Standard SMILES
O=C(NCCB(O)O)OCc1ccccc1- InChIKey
KHMDIKNZIMHPTI-UHFFFAOYSA-N- Molecular formula
- C10H14BNO4
- Average molar mass
- 223.04 g/mol
- Monoisotopic mass
- 223.1015881
Names & identifiers
- Preferred name
- (2-(((Benzyloxy)carbonyl)amino)ethyl)boronic acid
- IUPAC
- 2-(phenylmethoxycarbonylamino)ethylboronic acid
- English name
- 2-(Benzyloxycarbonylamino)ethylboronic acid
- Molecular formula
- C10H14BNO4
- Molecular weight
- 223.03
Names & synonyms
4540-87-8(2-(((Benzyloxy)carbonyl)amino)ethyl)boronic acid2-(BENZYLOXYCARBONYLAMINO)ETHYLBORONIC ACIDMFCD115059222-(phenylmethoxycarbonylamino)ethylboronic acid(2-{[(Benzyloxy)carbonyl]amino}ethyl)boronic acidSCHEMBL20641674DTXSID80675336AKOS015839301SB79603DS-18080CS-0176204
Show more names
(2-Cbz-amino)ethyl boronic acid2-benzyl carbaMate ethyl boronic acid2-(Benzyloxycarbonylaminol)ethylboronic acidBenzyl N-[2-(dihydroxyboranyl)ethyl]carbamateCarbamic acid, (2-boronoethyl)-, C-benzyl ester (7CI,8CI)
A50024(2-(((Benzyloxy)carbonyl)amino)ethyl)boronicacidF447730F1967-1730
Database identifiers
- CAS
4540-87-8- PubChem CID
- 46739751
- DTXSID
DTXSID80675336
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 10.02 · 10.02±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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