AG00BCWS

270062-98-1 | BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID

AG00BCWS

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	270062-98-1
Catalog Number	AG00BCWS(AGN-PC-0R2WIS)
Chemical Name	BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
IUPAC Name	2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid
InChI	InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12-7-5-4-6-11(12)8-13(17)9-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChI Key	ZQBQAMXKTHNSQM-ZDUSSCGKSA-N
MDL Number	MFCD01861031
Molecular Formula	C16H21NO4
Molecular Weight	291.3422
SMILES	O=C(O)C[C@H]1N(C(OC(C)(C)C)=O)CC2=C(C=CC=C2)C1
Synonyms	270062-98-1, Boc-(S)-2-tetrahydroisoquinoline acetic acid, Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid, (S)-2-(2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid, 2-[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, [(3S)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid, 2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, Boc-Tqa-OH, AC1MC5CV, SCHEMBL4595926, CTK1A1441, DTXSID80375844, ZQBQAMXKTHNSQM-ZDUSSCGKSA-N, ZINC2385834, MFCD01861031, AKOS015948769, CB-2965, HL370-1, RTR-012173, AC-22266, ACM270062981, AN-29293, PS-12036, SC-50008, TR-012173, A-7857, 062B981, J-016647, (S)-2-(2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroi, Boc-(S)-2-tetrahydroisoquinoline acetic acid, AldrichCPR, [(3S)-2-(tert-butoxycarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, 3(1H)-Isoquinolineaceticacid, 2-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-, (3S)-, 2-[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, 2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid, CID2761615, BOC- -2-TETRAHYDROISOQUINOLINEACETICACID, Boc-(S)-1,2,3,4-tetrahydro-isoquinoline-3-acetic acid, 2-[(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic Acid,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	291.147g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.347g/mol
Monoisotopic Mass	291.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number