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D-Tryptophan methyl ester hydrochloride

CAT: 0926-FT28620-01Size: 2 KgDry Ice: NoHazardous: No
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CAT#:0926-FT28620-01Size:2 Kg
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CAS Number
14907-27-8
Synonyms
(R) -Tryptophan methyl ester monohydrochloride; (R) -Tryptophane methyl ester hydrochloride; Methyl D-tryptophanate hydrochloride
MDL Number
MFCD00038992
Smiles
COC (=O) [C@@H] (CC1=CNC2=CC=CC=C21) N.Cl
Molecular Formula
C12H14N2O2•HCl
Molecular Weight
254.71 g/mol
Controlled
No

Chemical Information

methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
CAS Number14907-27-8
PubChem CID11448200
IUPAC Namemethyl (2R)-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-;/m1./s1
InChIKey
XNFNGGQRDXFYMM-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
CAS: 14907-27-8
CID: 11448200
Formula: C12H15ClN2O2
MW: 254.71
Interactive 3D Structure
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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