AG000YC7

128740-14-7 | 1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-

AG000YC7

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CAS Number	128740-14-7
Catalog Number	AG000YC7(AGN-PC-007GLD)
Chemical Name	1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-
EC Number	929-459-3
IUPAC Name	6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
InChI	InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2
InChI Key	AFYZAHZKOFBVLE-UHFFFAOYSA-N
MDL Number	MFCD06796542
Molecular Formula	C14H20N2
Molecular Weight	216.3220
SMILES	C(C1=CC=CC=C1)N3CC2CCCNC2C3
Synonyms	128740-14-7, 6-Benzyl-octahydropyrrolo[3,4-b]pyridine, 6-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE, 6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine, 6-Benzyl-1H-octahydropyrrolo[3,4-b]pyridine, 6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine, 1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, octahydro-6-(phenylmethyl)-1h-pyrrolo[3,4-b]pyridine, AC1Q28X4, SCHEMBL1724302, DTXSID60463379, AFYZAHZKOFBVLE-UHFFFAOYSA-N, CS-D1551, KS-00000FD7, ANW-75056, MFCD06796542, AKOS015839194, AC-7305, AN-9119, FS-2727, RTR-004023, VP13491, 6-Benzyl-octahydro-pyrrolo[3,4-bpyridine, 6-Benzyl-octahydropyrrolo[3.4-b]pyridine, AK-24082, AK103323, BR-24082, SC-21860, SY005602, AB0035402, AB1000524, TR-004023, 4CH-006794, A3325, FT-0649679, ST24029624, X9733, EN300-55581, A13945, B64518, Z-5925, MFCD06796542 (97+%), I14-20114, 6-benzyl-octahydro-pyrrolo[3,4-b]pyridine, AldrichCPR, 6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine, null, C14H20N2, ACN-044925, CID11356376, 8-benzyl-5,8-diazabicyclo[4.3.0]nonane, (4aS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, 6-Benzyloctahydro-1H-pyrrolo(3,4-b)pyridine, EC 929-459-3, 6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine 2HCl, 151213-39-7, (4aS,7aS)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine, N/A,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.163g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.328g/mol
Monoisotopic Mass	216.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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