(2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride

C₁₃H₁₄ClNO₂CAS 122745-12-4251.71 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₃H₁₄ClNO₂
Molar mass: 251.71 g/mol
Exact mass: 251.0713 Da
logP: 2.22Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H303 May be harmful if swallowed100% of notifiers
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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

122745-12-4

SMILES

Cl.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

InChIKey

QXEYSNIVQNSZGX-YDALLXLXSA-N

InChI

InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

2-Naphthalenepropanoic acid, α-amino-, hydrochloride (1:1), (αS)-
2-Naphthalenepropanoic acid, α-amino-, hydrochloride, (S)-
2-Naphthalenepropanoic acid, α-amino-, hydrochloride, (αS)-

Work with (2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride

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.

2-Naphthylalanine58438-03-2Free base D-3-(2-Naphthyl)alanine76985-09-6Free base, enantiomer Alpha-Amino-2-naphthalenepropanoic acid14108-60-2Free base, stereo not defined

Similar compounds

Tyrosine hydrochloride16870-43-263 % similar (R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-562 % similar (S)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride270063-39-362 % similar 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-562 % similar DL-Phenylalanine150-30-162 % similar Phenylalanine63-91-262 % similar D-Phenylalanine673-06-362 % similar 3-Amino-L-tyrosine dihydrochloride23279-22-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-(4-Chlorobutoxy)-1H-quinolin-2-one913613-82-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook