AG00C0FB

3230-65-7 | 3,4-Dihydroisoquinoline

AG00C0FB

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CAS Number	3230-65-7
Catalog Number	AG00C0FB(AGN-PC-0JLQ7M)
Chemical Name	3,4-Dihydroisoquinoline
EC Number	221-769-0
IUPAC Name	3,4-dihydroisoquinoline
InChI	InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
InChI Key	NKSZCPBUWGZONP-UHFFFAOYSA-N
MDL Number	MFCD00033714
Molecular Formula	C9H9N
Molecular Weight	131.1745
NSC Number	3007
SMILES	C1CC2=C(C=CC=C2)C=N1
Synonyms	3,4-dihydroisoquinoline, G 1616, 3,4-Dihydroisoquinoline, 3230-65-7, Isoquinoline, 3,4-dihydro-, 3,4-dihydro-isoquinoline, G 1616, NKSZCPBUWGZONP-UHFFFAOYSA-N, EINECS 221-769-0, Isoquinoline,4-dihydro-, AC1L2RHP, AC1Q4UP3, Isoquinoline,3,4-dihydro-, SCHEMBL56690, CTK4G8498, DTXSID20186037, NSC3007, KS-00000N6C, NSC-3007, ZINC4403871, ANW-72790, MFCD00033714, AKOS015840990, AB01545, RP19964, VQ10141, AJ-51045, AK-25112, SC-47506, SY025255, AB0110276, DB-006282, TC-030298, 3,4-Dihydroisoquinoline, >=97.5% (GC), FT-0600502, MFCD00033714 (98%), 144449-EP2272832A1, 144449-EP2292592A1, A1-04500, J-511195, C9-H9-N, CID76705, AR-1E9189, 33267-37-7,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number