H-Phg-ome hcl

C₉H₁₂ClNO₂CAS 15028-39-4201.65 g/mol

Open in Covalent MOL file

Ester Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

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

Similar compounds

Ethyl D-phenylglycinate hydrochloride17609-48-266 % similar Methyl (αR)-α-amino-4-hydroxybenzeneacetate37763-23-862 % similar Methyl α-phenylbenzeneacetate3469-00-959 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-055 % similar Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-255 % similar D-(-)-2-Amino-2-phenylacetyl chloride hydrochloride39878-87-054 % similar (±)-Methyl mandelate4358-87-654 % 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 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook