Dl-homophenylalanine

C10H13NO2CAS 1012-05-1179.22 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
logP
1.03Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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
1012-05-1
SMILES
C1=CC=C(C=C1)CCC(C(=O)O)N
InChIKey
JTTHKOPSMAVJFE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • Homophenylalanine, DL-

Work with Dl-homophenylalanine

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.

L-Homophenylalanine943-73-7Defined stereoisomer D-Homophenylalanine82795-51-5Defined stereoisomer (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0Salt, defined stereoisomer

Similar compounds

DL-Phenylalanine150-30-172 % similar Phenylalanine63-91-272 % similar D-Phenylalanine673-06-372 % similar γ-Benzyl L-glutamate1676-73-963 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-863 % similar O-(Phenylmethyl)-D-serine10433-52-062 % similar H-D-Cys(bzl)-oh23032-53-362 % similar S-Benzyl-L-cysteine3054-01-162 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Phenibut1078-21-3 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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