H-Phg-ome hcl

C9H12ClNO2CAS 15028-39-4201.65 g/mol

Open in Covalent MOL file
OOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
logP
1.28Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
15028-39-4
SMILES
COC(=O)[C@H](C1=CC=CC=C1)N.Cl
InChIKey
DTHMTBUWTGVEFG-QRPNPIFTSA-N
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-(+)-2-Phenylglycine methyl ester hydrochloride

Work with H-Phg-ome hcl

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.

D-Phenylglycine methyl ester hydrochloride19883-41-1Enantiomer

Similar compounds

D-4-Hydroxyphenylglycine methyl ester hydrochloride57591-61-470 % similar Ethyl D-phenylglycinate hydrochloride17609-48-266 % similar Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate37763-23-862 % similar Methyl alpha-phenylbenzeneacetate3469-00-959 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-857 % similar Methyl L-phenylalaninate hydrochloride7524-50-757 % similar Methyl 2-phenylacetoacetate16648-44-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7 N-Benzylglycine hydrochloride7689-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook