AG006YKS

212141-54-3 | 1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-

AG006YKS

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CAS Number	212141-54-3
Catalog Number	AG006YKS(AGN-PC-088NIF)
Chemical Name	1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
IUPAC Name	N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
InChI	InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
InChI Key	YCOYDOIWSSHVCK-UHFFFAOYSA-N
MDL Number	MFCD08458963
Molecular Formula	C20H15ClN4
Molecular Weight	346.8129
SMILES	N(c1c2c(c(nn1)Cc1ccncc1)cccc2)c1ccc(cc1)Cl
UNII	5DX9U76296
Synonyms	1-(4-chloroanilino)-(4-pyridylmethyl)phthalazine dihydrochloride, 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine, 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine dihydrochloride, CGP 797870, CGP-797870, PTK 787, PTK-787, PTK787, vatalanib, ZK 222584, ZK 232934, ZK-222584, ZK-232934, ZK222584, ZK232934, Vatalanib, 212141-54-3, Vatalanib base, N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine, PTK787, Pynasunate, CGP 79787, Vatalanib free base, PTK-787, Vatalanib (free base), Vatalinib, ZK-232934, CGP-79787, ZK222584, PTK/ZK, CHEMBL101253, N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine, UNII-5DX9U76296, 1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, CHEBI:90620, YCOYDOIWSSHVCK-UHFFFAOYSA-N, 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine, 5DX9U76296, NCGC00181350-01, DSSTox_CID_26919, DSSTox_RID_82015, DSSTox_GSID_46919, ZK-222584, 1-Phtalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine, N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phtalazin-1-amine, 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, CAS-212141-54-3, SR-05000001457, Vatalanib(TM), CGP-797870, Kinome_3657, Vatalanib (USAN/INN), Vatalanib [USAN:INN], AC1L45UC, NVP-PTK787, SCHEMBL18286, C20H15ClN4, BDBM4851, BIFK0006, cid_151194, GTPL5705, ZINC7460, DTXSID2046919, CTK4E6114, 1-(4-chloro-anilino)-4-(pyridin-4-yl-methyl)-phthalazine, QCR-126, ZX-AFC002994, (A) PTK787, BCPP000021, HMS2089D11, HMS3713O04, ACT06794, BCP16436, CGP-7978, CGP79787, EX-A1398, Tox21 112808, Tox21_112808, MFCD08458963, AKOS015896483, Tox21_112808_1, API0004576, CCG-220471, CS-5248, DB04879, MCULE-3078477385, SB16582, BAY-86-5127, NCGC00181350-03, NCGC00181350-06, AC-25025, AJ-08301, AN-29745, AS-17435, BC220786, HY-10203, AB0019678, AB1004881, DB-066452, LS-187006, LS-187641, RT-016221, A1778, FT-0657115, VU0549317-1, D06285, AB01275455-01, 139368-EP2270008A1, 139368-EP2292617A1, 141V543, A815203, 1-(4-Chloranilino)-4-(4-pyridylmethyl)-phthalazin, 1-(4-chloranilino)-4-(4-pyridylmethyl)-phthalazine, I06-1922, K-222584, SR-05000001457-1, SR-05000001457-2, 1 -(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine, BRD-K70163715-001-02-8, F9995-0196, 1-(4-chlor-anilino)-4-(pyridin-4-yl-methyl)-phthalazine, N-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazin-1-amine, (4-chlorophenyl)-(4-pyridin-4-ylmethyl-phthalazin-1-yl)amine, (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine, N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine, Vatalanib dihydrochloride, Ptk 787, D0P6DJ, Vatalanib (PTK787) 2HCl, CHEMBL75232, CID151194, CGP 797870, ZK232934, ZK 222584, ZK 232934, A3969, V0126, 212141-51-0, 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine, C404768, 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine succinate, 1-(4-chloroanilino)-(4-pyridylmethyl)phthalazine dihydrochloride, 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine dihydrochloride, N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine Dihydrochloride, N-(4-Chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.099g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	346.818g/mol
Monoisotopic Mass	346.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

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