4-Methyl-L-phenylalanine
Properties
- Molecular formula
- C10H13NO2
- Molar mass
- 179.22 g/mol
- Exact mass
- 179.0946 Da
- logP
- 0.95Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1991-87-3SMILES
Cc1ccc(C[C@H](N)C(=O)O)cc1InChIKey
DQLHSFUMICQIMB-VIFPVBQESA-NInChI
InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- L-Phenylalanine, 4-methyl-
- Alanine, 3-p-tolyl-, L-
- p-Methyl-L-phenylalanine
- L-4′-Methylphenylalanine
- L-4-Methylphenylalanine
- (S)-2-Amino-3-(p-tolyl)propanoic acid
- (2S)-2-Amino-3-(4-methylphenyl)propanoic acid
Work with 4-Methyl-L-phenylalanine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
D-Tyrosine556-02-571 % similar
DL-Tyrosine556-03-671 % similar
Tyrosine60-18-471 % similar
p-Amino-DL-phenylalanine hydrate2922-41-069 % similar
4-Amino-L-phenylalanine943-80-669 % similar
DL-Phenylalanine150-30-168 % similar
Phenylalanine63-91-268 % similar
D-Phenylalanine673-06-368 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.