(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid

HCID 978356CAS 77128-73-5

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O
InChIKey: GBROUWPNYVBLFO-QHCPKHFHSA-N
Molecular formula: C25H23NO4
Average molar mass: 401.5 g/mol

Names & identifiers

Preferred name: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid
IUPAC: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acid
English name: Fmoc-N-methyl-L-phenylalanine
Molecular formula: C25H23NO4
Molecular weight: 401.45

Names & synonyms

77128-73-5(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino]-3-phenylpropanoic acidRefChem:407833844-850-8Fmoc-N-Me-Phe-OHFmoc-N-methyl-L-phenylalanineFmoc-MePhe-OHMFCD00151938N-Fmoc-N-methyl-L-phenylalanine(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acidN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-phenylalanine

Show more names

FMOC-L-MEPHE-OHFMOC-N-ME-PHE 98.5+%FMOC-N-ME-PHENYLALANINEFmoc-N-mety)-L-phenylalanine

AKOS015837150CS-W011702AC-24162Fmoc-Nalpha-methyl-L-phenylalanineN-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-phenylalanineFmoc-N-Me-L-Phe-OHL-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-A850900

Database identifiers

CAS: 77128-73-5
PubChem CID: 978356
EC Number: 844-850-8
Nikkaji: J2.281.974G

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 580

Physicochemical properties

Melting point: 132 to · 132.0 to 136.0 °C
Boiling point: 595.4 · 595.4±39.0 °C(Predicted)
Density: 1.26 · 1.260±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Soluble in DMF. (0.3gram in 2ml)
pka: 3.78 · 3.78±0.10(Predicted)
form: Powder
color: Off-white
optical activity: 20 · [α]20/D 55.0±3°, c = 1% in DMF
BRN: 4768138 · 4768138
Major Application: peptide synthesis
InChI: InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m0/s1
InChIKey: GBROUWPNYVBLFO-QHCPKHFHSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=CC=C1)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
CAS DataBase Reference: 77128 · 77128-73-5(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 26 · NA.26
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2924 · 2924 29 70
HazardClass: IRRITANT
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

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

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2924 29 70
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501