AG00EAL2

6278-90-6 | DL-TRYPTOPHAN-N-OCTYL ESTER HYDROCHLORIDE

AG00EAL2

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CAS Number	6278-90-6
Catalog Number	AG00EAL2(AGN-PC-0T5YB7)
Chemical Name	DL-TRYPTOPHAN-N-OCTYL ESTER HYDROCHLORIDE
IUPAC Name	octyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
InChI	InChI=1S/C19H28N2O2.ClH/c1-2-3-4-5-6-9-12-23-19(22)17(20)13-15-14-21-18-11-8-7-10-16(15)18;/h7-8,10-11,14,17,21H,2-6,9,12-13,20H2,1H3;1H
InChI Key	IASIBURGMIVLIA-UHFFFAOYSA-N
MDL Number	MFCD00050620
Molecular Formula	C19H29ClN2O2
Molecular Weight	352.8988
SMILES	Cl[H].CCCCCCCCOC(=O)C(N)CC1=CNC2=C1C=CC=C2
Synonyms	6278-90-6, Octyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride, MFCD00050620, DL-Tryptophan octyl ester hydrochloride, AK101734, DL-TRYPTOPHAN-N-OCTYL ESTER HYDROCHLORIDE, OCTYL 2-AMINO-3-(1H-INDOL-3-YL)PROPANOATE HCL, Octyl tryptophanate--hydrogen chloride (1/1), SCHEMBL5391034, CTK8B9570, DTXSID40563902, KS-00000Q6W, NSC34501, ANW-62723, NSC-34501, NSC519469, AKOS016004220, DS-3738, MCULE-9827878452, NSC-519469, DL-Tryptophan octyl ester (hydrochloride), AX8233273, TC-151468, FT-0698706, ST51015130, octyl 2-amino-3-indol-3-ylpropanoate, chloride, DL-Tryptophan-n-octyl ester hydrochloride, 99% - 5G 5g,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	352.192g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	352.903g/mol
Monoisotopic Mass	352.192g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	68.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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