AG00082S

102676-31-3 | Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1)

AG00082S

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CAS Number	102676-31-3
Catalog Number	AG00082S(AGN-PC-0ORR5A)
Chemical Name	Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1)
IUPAC Name	4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride
InChI	InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
InChI Key	UKCVAQGKEOJTSR-UHFFFAOYSA-N
MDL Number	MFCD00866239
Molecular Formula	C14H14ClN3
Molecular Weight	259.7341
SMILES	N#CC1=CC=C(C2CCCC3=CN=CN23)C=C1.[H]Cl
Synonyms	CGS 020286A, CGS 16949A, CGS-020286A, CGS-16949A, CGS020286A, CGS16949A, FAD 286, FAD-286, FAD286, Fadrozole, Fadrozole Hydrochloride, Fadrozole Monohydrochloride, Hydrochloride, Fadrozole, Monohydrochloride, Fadrozole, FADROZOLE HYDROCHLORIDE, 102676-31-3, Afema, Fadrozole HCl, Fadrozole.HCl, CGS 16949A, CGS 16949, CCRIS 4597, Fadrozole hydrochloride [USAN], 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile hydrochloride, Fadrozole monohydrochloride, CHEMBL468419, 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride, Fadrozole hydrochloride (USAN), Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, monohydrochloride, Arensin, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-Benzonitrile, AC1L1RRB, AC1Q3CEO, DSSTox_CID_618, SCHEMBL4143, DSSTox_RID_75694, DSSTox_GSID_20618, DTXSID4020618, CGS16949A, CHEBI:31589, CTK8E9343, UKCVAQGKEOJTSR-UHFFFAOYSA-N, BCP18654, Tox21_303613, ABP000972, MFCD00866239, AKOS025311475, API0008423, NCGC00257411-01, Fadrozole hydrochloride, >=98% (HPLC), HY-14247, LS-38785, RT-012692, CAS-102676-31-3, CS-0002958, D02451, Fadrozole (hydrochloride) pound>>CGS 16949A, J-000756, 5-(p-Cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]-pyridine hydrochloride, 5-(p-Cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride, 5-p-Cyanophenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride, 5-p-Cyanophenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridinehydrochloride, Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1), Racemic 5-(p-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride, FADROZOLE, UNII-H0Q44H4ECQ, H0Q44H4ECQ, cc-416, CGS-16949A, C14-H13-N3.Cl-H, CID59694, 102676-96-0, Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, monohydrochloride, (+-)-,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.088g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.737g/mol
Monoisotopic Mass	259.088g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H361
Packing Group	Ⅲ
Precautionary statements	P281-P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number