AG00I567

27311-63-3 | Isoquinolin-1-ylmethanol

AG00I567

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CAS Number	27311-63-3
Catalog Number	AG00I567(AGN-PC-0KKXE5)
Chemical Name	Isoquinolin-1-ylmethanol
IUPAC Name	isoquinolin-1-ylmethanol
InChI	InChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
InChI Key	HQABEHZXAJHCLV-UHFFFAOYSA-N
MDL Number	MFCD03086097
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	OCC1=NC=CC2=C1C=CC=C2
Synonyms	isoquinolin-1-ylmethanol, 1-Isoquinolinemethanol, 27311-63-3, (Isoquinolin-1-yl)methanol, 1-isoquinolinylmethanol, Isoquinolin-1-Yl-Methanol, isoquinolylmethan-1-ol, MFCD03086097, isoquinolylmethanol, AC1MCQTS, 1-hydroxymethyl-isoquinoline, AC1Q7C4J, Oprea1_707396, 1-(Hydroxymethyl)isoquinoline, SCHEMBL243298, CTK1A1724, DTXSID00379920, HQABEHZXAJHCLV-UHFFFAOYSA-N, ZINC158612, 1-isoquinolinemethanol, AldrichCPR, 1-(Hydroxymethyl)-2-azanaphthalene, ANW-57754, SBB038262, AKOS000268310, MCULE-8947656316, AJ-15252, AS-37781, ZB006969, DB-047198, TC-146499, FT-0607987, ST24047448, ST50135272, K-6959, A819007, F2124-0014, ZINC00158612, CID2776247,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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