AG00ICHD

74163-81-8 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-

AG00ICHD

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CAS Number	74163-81-8
Catalog Number	AG00ICHD(AGN-PC-0OHED6)
Chemical Name	3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-
EC Number	616-058-0
IUPAC Name	(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
InChI	InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChI Key	BWKMGYQJPOAASG-VIFPVBQESA-N
MDL Number	MFCD00144533
Molecular Formula	C10H11NO2
Molecular Weight	177.1998
SMILES	[C@@H]2(NCC1=CC=CC=C1C2)C(=O)O
UNII	737G46U1NP
Synonyms	74163-81-8, L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, H-TIC-OH, (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, L-Porretine, (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, UNII-737G46U1NP, MFCD00144533, (S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid, 737G46U1NP, (3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, S-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-, 1,2,3,4-Tetrahydroisoquinoline-3(s)-carboxylic acid, 1,2,3,4-Tetrahydroisoquinoline-3(R)-carboxylic acid, (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, PubChem6296, AC1MBYEG, AC1Q71AH, KSC489O6L, SCHEMBL288272, CHEMBL447576, (S)-1,2,3,4-Tetrahydro-3-isoquinoline-carboxylic acid, CTK3I9765, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-, BWKMGYQJPOAASG-VIFPVBQESA-N, ACT01929, CS-D1187, ZINC3881715, ANW-36437, CT-138, EBD134387, AKOS016842273, AL081-1, MCULE-3630654232, RL04806, RTR-023966, AJ-46648, BR-25831, K266, SC-06593, TS-02454, AB0014129, TR-023966, AM20060719, FT-0082951, FT-0605290, J1119, A-2585, 163T818, 1,2,3,4-Tetrahydro-3S-isoquinoline carboxylic acid, 1,2.3,4-tetrahydro isoquinoline-2-carboxylic acid, J-650310, Q-103215, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxyli, 1,2,3,4-tetrahydro-3(s)-isoquinolinecarboxylic acid, (3s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, Z1696862396, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, S-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, 97%, C10H11NO2, NSC14794, CID2733226, -Tetrahydro-3-IsoquinolineCarboxylicAcid, T1515, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacid, S-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, (L)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, 67123-97-1, (R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid, 103733-65-9, (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 98% - 1G 1g, 35186-99-3, 896722-50-2, TIC,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	177.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.203g/mol
Monoisotopic Mass	177.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number