AG00DEP5

56-49-5 | 3-Methylcholanthrene

AG00DEP5

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CAS Number	56-49-5
Catalog Number	AG00DEP5(AGN-PC-0BEXS0)
Chemical Name	3-Methylcholanthrene
EC Number	200-276-4
IUPAC Name	3-methyl-1,2-dihydrobenzo[j]aceanthrylene
InChI	InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChI Key	PPQNQXQZIWHJRB-UHFFFAOYSA-N
MDL Number	MFCD00003704
Molecular Formula	C21H16
Molecular Weight	268.3517
NSC Number	21970
SMILES	CC1=C(CC2)C3=C2C4=CC=C5C(C=CC=C5)=C4C=C3C=C1
UN Number	3077
UNII	214U33M1RL
Synonyms	20 Methylcholanthrene, 20-Methylcholanthrene, 3 Methylcholanthrene, 3-Methylcholanthrene, Methylcholanthrene, 3-methylcholanthrene, 56-49-5, Methylcholanthrene, 20-Methylcholanthrene, 3-MC, 3-MCA, 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene, 20-MC, 3-Methylchloanthrene, 3-Methoxycholanthrene, 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene, Cholanthrene, 3-methyl-, RCRA waste number U157, 1,2-Dihydro-3-methylbenz(j)aceanthrylene, Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-, 3-MeCA, 3-Methylbenz(j)aceanthrene, MC, 3-MCH, NSC 21970, 3-Methylcholanthren [German], CCRIS 386, UNII-214U33M1RL, CHEBI:34342, HSDB 2942, 3-Methylcyclopentabenzophenanthrene, Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-, EINECS 200-276-4, RCRA waste no. U157, BRN 1913890, 3-Methyl-I,J-cyclopentabenz(a)anthracene, 1,2-dihydro-3-methylbenz[j]aceanthrylene, AI3-50462, 214U33M1RL, 3-Methylcholanthren, C21H16, Spectrum_001938, AC1L1BZC, DSSTox_CID_862, Spectrum2_001094, Spectrum3_001202, Spectrum4_000915, Spectrum5_001844, Spectrum5_002063, Epitope ID:119713, 3-Methylcholanthrene (MC), AC1Q1IR0, 3-Methylcholanthrene, 98%, 3-Methylcholanthrene-(20), DSSTox_RID_75832, BIDD:PXR0170, DSSTox_GSID_20862, BSPBio_002584, KBioGR_001410, KBioSS_002488, 4-05-00-02648 (Beilstein Handbook Reference), BIDD:ER0539, CHEMBL40583, Cholanthrene, 20(3)-methyl, SPBio_001168, DTXSID0020862, KBio2_002481, KBio2_005049, KBio2_007617, KBio3_002084, US9144538, Methylcholanthrene, PPQNQXQZIWHJRB-UHFFFAOYSA-N, BDBM181120, BCP26039, NSC21970, ZINC1589655, Tox21_202592, US9138393, Methyl- cholanthrene, 6597AF, CCG-39765, LS-219, MFCD00003704, NSC-21970, AKOS015842468, CAS-56-49-5, 3-Methylcholanthrene, analytical standard, NCGC00163126-01, NCGC00163126-02, NCGC00163126-03, NCGC00260140-01, Benz[j]aceanthrylene,2-dihydro-3-methyl-, NCI60_001826, TR-031709, FT-0616145, FT-0616146, ST45022244, 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene #, C14470, WLN: L E6 D6656 1A T&&&T&J R1, 3-Methylcholanthrene 10 microg/mL in Cyclohexane, BRD-K61463582-001-02-3, I14-19190, I14-23204, 3-Methylcholanthrene solution, 100 mug/mL in acetonitrile, analytical standard, 3 Methylcholanthrene, 20 Methylcholanthrene, Methylcholanthrene 3-, 3-Methylbenza[j]aceanthrene, CID1674, AR-1H7855, NA8027, C21-H16, MCA, Benz [j] aceantrilono, 1,2-dihidro-3-metil-, D008748, 5806-72-4,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.125g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.359g/mol
Monoisotopic Mass	268.125g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H319-H350-H360
Precuationary statements	P210-P261-P280-P305+P351+P338-P370+P378-P403+P235
Siginal words

Certificate of Analysis

Lot Number