CAS 260367-12-2 2-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid (HCID 45599183)

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Basic information

CAS: 260367-12-2
Standard SMILES: O=C(O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: LBVXPUINIMIGAU-UHFFFAOYSA-N
Molecular formula: C19H19NO5
Average molar mass: 341.4 g/mol
Monoisotopic mass: 341.12632271

Names & identifiers

Preferred name: 2-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid
IUPAC: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetic acid
English name: 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
Molecular formula: C19H19NO5
Molecular weight: 341.36

Names & synonyms

2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid2-[2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)ETHOXY]ACETIC ACIDRefChem:452250980-113-8260367-12-2Fmoc-NH-PEG1-CH2COOHMFCD067968762-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetic acidFmoc-AEA(2-Fmoc-aminoethoxy)acetic acidAcetic acid, 2-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethoxy]-DTXSID70670774

Show more names

Fmoc-PEG1-CH2COOHFmoc-PEG1-acetic acidFMOC-O1PEN-OHFmoc-NH-dPEG1-COOHFmoc-NH-(PEG)1-CH2COOH - 1 gFmoc-N-amido-PEG1-acetic acid[2-(FMOC-AMINO)ETHOXY]ACETIC ACID5-(FMOC-AMINO)-3-OXAPENTANOIC ACID

Fmoc-5-Amino-3-oxapentanoic acid2-[2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]ethoxy]acetic acid2-[2-(Fmoc-amino)ethoxy]acetic AcidHY-W055861DS-7729BP-22043Fmoc-N-amido-PEG-CH2COOH, MW 2,0002-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl] amino}ethoxy)acetic acid

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 447

Physicochemical properties

Melting point: 83 · 83-89°
Boiling point: 602.6 · 602.6±40.0 °C(Predicted)
Density: 1.287 · 1.287±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.43 · 3.43±0.10(Predicted)
form: Solid
color: White to off-white
InChI: InChI=1S/C19H19NO5/c21-18(22)12-24-10-9-20-19(23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,23)(H,21,22)
InChIKey: LBVXPUINIMIGAU-UHFFFAOYSA-N
SMILES: C(O)(=O)COCCNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2922390090 · 2922390090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

DescriptionFmoc-NH-PEG1-CH2COOH is a degradable ADC linker for antibody drug conjugate (ADC) synthesis. Fmoc-NH-PEG1-CH2COOH is also a PEG-based PROTAC linker that can be used for PROTAC synthesis.

Uses2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic Acid can be used as reactant/reagent in modular platform to develop peptoid-based selective fluorescent metal sensors.

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

1 records

New reaction record

HRID 1628101As reactantuspto-grants-2014_07

Compound notes

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