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40851-66-9

40851-66-9 Structure

40851-66-9 Structure
IdentificationMore
[Name]

2-(Boc-aminomethyl)phenylacetic acid
[CAS]

40851-66-9
[Synonyms]

[2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL]-ACETIC ACID
BOC-2-AMINOMETHYL-PHENYLACETIC ACID
BOC-2-AMINOMETHYL-PHENYLACETIC ACID 98%
2-(Boc-aminomethyl)phenylacetic acid
2-(N-tert-Butoxycarbonylaminomethyl)phenylacetic acid
[EINECS(EC#)]

637-014-7
[Molecular Formula]

C14H19NO4
[MDL Number]

MFCD06656428
[Molecular Weight]

265.3
[MOL File]

40851-66-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

435.2±33.0 °C(Predicted)
[density ]

1.163±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

4.26±0.10(Predicted)
[Appearance]

White to off-white Solid
[BRN ]

1080474
[Major Application]

peptide synthesis
[InChI]

1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
[InChIKey]

CGPQRFCFBISLKF-UHFFFAOYSA-N
[SMILES]

CC(C)(C)OC(=O)NCc1ccccc1CC(O)=O
[CAS DataBase Reference]

40851-66-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29225090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

[2-(tert-Butoxycarbonylaminomethyl)phenyl]acetic Acid is used to study molecular modeling on oligomers built from 2-aminomethylphenylacetic acid.
[reaction suitability]

reaction type: Boc solid-phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Boc-aminomethyl)phenylacetic acid(40851-66-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40851-66-9(sigmaaldrich)
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