4-Amino-L-phenylalanine

C₉H₁₂N₂O₂CAS 943-80-6180.21 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₂N₂O₂
Molar mass: 180.21 g/mol
Exact mass: 180.0899 Da
Melting point: 265 °C (decomposes)
logP: 0.22Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

943-80-6

SMILES

Nc1ccc(C[C@H](N)C(=O)O)cc1

InChIKey

CMUHFUGDYMFHEI-QMMMGPOBSA-N

InChI

InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

L-Phenylalanine, 4-amino-
Alanine, 3-(p-aminophenyl)-, L-
L-(+)-p-Aminophenylalanine
4-Aminophenylalanine
p-Amino-L-phenylalanine
L-4-Aminophenylalanine
Aminophenylalanine
p-Aminophenylalanine
(S)-2-Amino-3-(4-aminophenyl)propionic acid
(2S)-2-Amino-3-(4-aminophenyl)propanoic acid

Work with 4-Amino-L-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

p-Amino-DL-phenylalanine hydrate2922-41-0Stereo not defined 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-5Salt

Similar compounds

D-Tyrosine556-02-573 % similar DL-Tyrosine556-03-673 % similar Tyrosine60-18-473 % similar DL-Phenylalanine150-30-170 % similar Phenylalanine63-91-270 % similar D-Phenylalanine673-06-370 % similar 4-Fluoro-L-phenylalanine1132-68-969 % similar (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-869 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethoxybenzhydrazide21018-13-3 3-Ethoxybenzhydrazide27830-16-6 Ethyl 3,4-diaminobenzoate37466-90-3 1-(2-Furoyl)piperazine40172-95-0 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-6 2-(4-Methoxyphenyl)acetohydrazide57676-49-0 4-Ethoxybenzhydrazide58586-81-5

Elsewhere

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