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N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Alanine
CAS: 84000-07-7 | C19H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84000-07-7
Molecular Formula:
C19H19NO4
Molecular Mass:
325.36 g/mol
Names and Synonyms:
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Alanine
L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine
N-Fmoc-N-methyl-L-alanine
(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)propanoic acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoic acid
Identifiers:
SMILES:
C[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1
Key Properties
Melting Point
140-142 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.36 g/mol | CAS Common Chemistry |
| 325.36400000000003 g/mol | RDKit | |
| 325.131408088 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N(C(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JOFHWKQIQLPZTC-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 140-142 °C | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 3.3404000000000025 | RDKit |
| Molar Refractivity | 89.92980000000006 | RDKit |
