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H-Trp-OMe · HCl

CAT: 0121-4000133.0100Size: 100 gDry Ice: NoHazardous: No
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CAT#:0121-4000133.0100Size:100 g
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CAS Number
7524-52-9
Specifications
N-1165.0100
Sequence
H-Trp-OMe · HCl
Molecular Formula
C₁₂H₁₄N₂O₂ · HCl
Molecular Weight
254.72
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Methyl tryptophanate hydrochloride
CAS Number7524-52-9
PubChem CID2734891
IUPAC Namemethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
Molecular FormulaC12H15ClN2O2
Molecular Weight254.71
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity257
SMILES
COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N.Cl
InChI
InChI=1S/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/m0./s1
InChIKey
XNFNGGQRDXFYMM-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of Methyl tryptophanate hydrochloride
CAS: 7524-52-9
CID: 2734891
Formula: C12H15ClN2O2
MW: 254.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass254.0822054
Monoisotopic Mass254.0822054
Topological Polar Surface Area68.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
5-03522H-Trp-OMe·HCl
MBS9022368-01H-Trp(7-OMe)-OH
MBS9022299-01H-Trp(5-OMe)-OH
5-02983H-Leu-Trp-OMe·HCl
D4640-01H-D-Trp-OMe.HCl
5-03549H-D-Trp-OMe·HCl
CSB-DT1876H-Trp (7-OMe) -OH
CSB-DT1807H-Trp (5-OMe) -OH
OR1103266-01H-D-Trp (5-OMe) -OH
CSB-DT1805H-DL-Trp (5-OMe) -OH

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