AG00FB2T

72120-71-9 | L-3-Benzothienylalanine

AG00FB2T

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CAS Number	72120-71-9
Catalog Number	AG00FB2T(AGN-PC-0TZWQV)
Chemical Name	L-3-Benzothienylalanine
IUPAC Name	(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid
InChI	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
InChI Key	GAUUPDQWKHTCAX-VIFPVBQESA-N
MDL Number	MFCD00079684
Molecular Formula	C11H11NO2S
Molecular Weight	221.2755
SMILES	O=C(O)[C@@H](N)CC1=CSC2=CC=CC=C21
Synonyms	3-(3-benzo(b)thienyl)alanine, 3-(3-benzo(b)thienyl)alanine, (+-)-isomer, 3-BBTA, beta-(3-benzo(b)thienyl)alanine, L-3-Benzothienylalanine, 72120-71-9, (S)-2-Amino-3-(benzo[b]thiophen-3-yl)propanoic acid, 3-(3-Benzo(b)thienyl)alanine, 3-Benzothienyl-L-alanine, 3-(1-Benzothiophen-3-Yl)-L-Alanine, (2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid, 3-BENZO[B]THIOPHEN-3-YL-L-ALANINE, 3-(3-benzo[b]thienyl)alanine, 72170-71-9, 3-Bbta, Benzo(b)thiophene-3-propanoic acid, alpha-amino-, Benzo[b]thiophene-3-propanoic acid, alpha-amino-, 3-(1-Benzothien-3-yl)alanine, beta-(3-Benzo(b)thienyl)alanine, Benzo[b]thiophene-3-propanoicacid, a-amino-, AC1L45CX, L - 3 - Benzothienylalanine, SCHEMBL514508, beta-(benzothien-3-yl)alanine, 3-(3-Benzothienyl)-L-alanine, CHEMBL4078808, CTK4E1828, KS-00000JNO, DTXSID70173235, GAUUPDQWKHTCAX-VIFPVBQESA-N, ZINC403159, 3-(1-benzothien-3-yl)-L-alanine, BCP11581, 3-(Benzo[b]thiophene-3-yl)alanine, ANW-43636, CB-767, MFCD00079684, SBB066460, AKOS012011250, AL141-1, AJ-21955, AS-40754, FT-0649688, ST24020817, 120B719, (2S)-2-amino-3-(benzothiophen-3-yl)propanoic acid, (2S)-2-amino-3-(benzothiophen-3-yl)propionic acid, I09-0644, (2S)-2-amino-3-benzo[b]thiophen-3-ylpropanoic acid, (S)-2-Amino-3-benzo[b]thiophen-3-yl-propionic acid, (2S)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid, 4OG, D-3-(3-Benzothienyl)alanine, C11-H11-N-O2-S, CID150953, NSC206564, 3-(Benzo[b]thiophen-3-yl)-L-alanine, ACN-026133, (S)-2-(Benzo[b]thiophen-3-ylamino)propanoicacid, 1956-23-6, Benzo[b]thiophene-3-propanoic acid, alpha-amino-, (alphaS)-, 111139-55-0,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	221.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.274g/mol
Monoisotopic Mass	221.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number