AG002HCX

18881-17-9 | 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-

AG002HCX

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CAS Number	18881-17-9
Catalog Number	AG002HCX(AGN-PC-0O5UUV)
Chemical Name	3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-
IUPAC Name	[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
InChI	InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
InChI Key	ZSKDXMLMMQFHGW-JTQLQIEISA-N
MDL Number	MFCD01631316
Molecular Formula	C10H13NO
Molecular Weight	163.2163
SMILES	OC[C@H]1NCC2=C(C=CC=C2)C1
Synonyms	18881-17-9, (S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol, (3s)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol, (S)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol, [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol, (S)-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL-METHANOL, CHEMBL61489, (S)-3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline, 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (S)-, 1881-17-0, (S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, ((3S)-3-1,2,3,4-tetrahydroisoquinolyl)methan-1-ol, MFCD01631316, AC1LFEFX, Maybridge1_008972, AC1Q1HK4, AC1Q77QM, KSC497A6H, SCHEMBL894205, CTK3J7063, HMS566P18, ZSKDXMLMMQFHGW-JTQLQIEISA-, DTXSID30354588, ZSKDXMLMMQFHGW-JTQLQIEISA-N, ACT01911, ANW-23413, BDBM50077536, CT-816, FD1007, SBB003923, ZINC19798351, AKOS006238074, AKOS015856119, CS-W014288, EBD2220125, MCULE-9866684534, PS-6029, RP22631, RTC-071039, KS-0000097F, AC-23785, AJ-75060, BR-28946, CJ-16379, EN002788, SC-02031, ST066894, AB0030884, DB-011641, ST2408235, TC-071039, FT-0605291, X3151, S-3138, (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol, 855T021, (3 S)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol, (35)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol, (S)-1,2,3,4-tetrahydroisoquinoline-3-yl-methanol, (S)-3-hydroxymethy-1,2,3,4-tetrahydroisoquinoline, J-502357, (S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, 98%, (S)-3-hydroxymethyl-1,2,3,4-tetrahydro isoquinoline, 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-, (S)-1-(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol, 98%, InChI=1/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1, C10H13NO, KST-1A6761, AR-1A4459, CID776757, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol, CB11309, T1755, AE-641/40197878, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol, 98% 1g, (3S)-1,2,3,4-Tetrahydroisoquinolin-3-ylmethanol, 98% - 1G 1g, 6299-40-7, 62855-02-1,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	163.1g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.22g/mol
Monoisotopic Mass	163.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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