chempirical

p-Amino-DL-phenylalanine hydrate

C9H12N2O2CAS 2922-41-0180.21 g/mol

Open in Covalent MOL file
H2NNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H12N2O2
Molar mass
180.21 g/mol
Exact mass
180.0899 Da
Melting point
242–245 °C
logP
0.22Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
2922-41-0
SMILES
Nc1ccc(CC(N)C(=O)O)cc1
InChIKey
CMUHFUGDYMFHEI-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

12 names
  • 4-Amino-dl-phenylalanine
  • Phenylalanine, 4-amino-
  • Alanine, 3-(p-aminophenyl)-, DL-
  • DL-Phenylalanine, 4-amino-
  • 4-Aminophenylalanine
  • DL-p-Aminophenylalanine
  • DL-4-Aminophenylalanine
  • p-Amino-DL-phenylalanine
  • NSC 21918
  • NSC 29446
  • 2-Amino-3-(4-aminophenyl)propanoic acid
  • 2-Amino-3-(4-aminophenyl)propanoicacid

Work with p-Amino-DL-phenylalanine hydrate

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.

4-Amino-L-phenylalanine943-80-6Defined stereoisomer 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-5Salt, defined stereoisomer

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 N-(3-Amino-4-methoxyphenyl)acetamide6375-47-9

Elsewhere

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